VBJ103 #428 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

5HT1B_HUMAN

Docking Scores:
-11.13 -11.31 -11.35
Similarity Score:
60.87%
Best Match:
CHEMBL191460

5HT2A_HUMAN

Docking Scores:
-11.73 -11.87
Similarity Score:
70.42%
Best Match:
CHEMBL234826

5HT2B_HUMAN

Docking Scores:
-11.15 -10.79 -11.13
Similarity Score:
80.82%
Best Match:
CHEMBL4292719

5HT2C_HUMAN

Docking Scores:
-10.50 -12.25
Similarity Score:
80.82%
Best Match:
CHEMBL4292719

AA1R_HUMAN

Docking Scores:
-10.71 -10.72 -9.31
Similarity Score:
40.30%
Best Match:
CHEMBL3765526

AA2AR_HUMAN

Docking Scores:
-10.22 -10.31 -9.93
Similarity Score:
43.55%
Best Match:
CHEMBL194704

ACES_HUMAN

Docking Scores:
-10.81 -9.98 -8.22
Similarity Score:
74.24%
Best Match:
CHEMBL55014

ACE_HUMAN

Docking Scores:
-9.59 -9.53 -8.21
Similarity Score:
55.43%
Best Match:
CHEMBL172913

ACHA9_HUMAN

Docking Scores:
-7.98
Similarity Score:
22.78%
Best Match:
CHEMBL386114

ACHB2_HUMAN

Docking Scores:
-8.44 -7.67 -7.03
Similarity Score:
N/A
Best Match:
N/A

ACM1_HUMAN

Docking Scores:
-10.30 5.69
Similarity Score:
65.48%
Best Match:
CHEMBL3600801

ACM4_HUMAN

Docking Scores:
-9.37 -8.95
Similarity Score:
55.81%
Best Match:
CHEMBL130835

ADRB2_HUMAN

Docking Scores:
-9.97 -11.24 -12.10
Similarity Score:
60.92%
Best Match:
CHEMBL1524289

AGTR2_HUMAN

Docking Scores:
-10.64 -10.96 -10.43
Similarity Score:
43.64%
Best Match:
CHEMBL376286

ALDR_HUMAN

Docking Scores:
-10.93 -10.61 -10.13
Similarity Score:
37.88%
Best Match:
CHEMBL4071420

AMPN_HUMAN

Docking Scores:
-9.81 -9.98 -9.52
Similarity Score:
44.25%
Best Match:
CHEMBL4439575

AOFA_HUMAN

Docking Scores:
-12.41 -11.94 -11.96
Similarity Score:
47.13%
Best Match:
CHEMBL4292597

AOFB_HUMAN

Docking Scores:
-11.40 -11.00 -11.53
Similarity Score:
55.17%
Best Match:
CHEMBL4528196

BACE1_HUMAN

Docking Scores:
-8.48 -9.20 -9.01
Similarity Score:
57.61%
Best Match:
CHEMBL3354252

CAH2_HUMAN

Docking Scores:
-8.76 -8.62 -8.96
Similarity Score:
58.62%
Best Match:
CHEMBL4462670

CASP1_HUMAN

Docking Scores:
-7.89 -8.02 -7.78
Similarity Score:
50.50%
Best Match:
CHEMBL590028

CDK5_HUMAN

Docking Scores:
-9.37 -9.62 -11.60
Similarity Score:
51.65%
Best Match:
CHEMBL1990254

CHLE_HUMAN

Docking Scores:
-9.87 -9.31 -9.90
Similarity Score:
62.50%
Best Match:
CHEMBL4077386

CNR1_HUMAN

Docking Scores:
-10.97 -10.23 -11.08
Similarity Score:
61.70%
Best Match:
CHEMBL3397448

CNR2_HUMAN

Docking Scores:
-12.49 -10.68
Similarity Score:
66.67%
Best Match:
CHEMBL579193

COLI_HUMAN

Docking Scores:
-9.77 -9.73 -9.64
Similarity Score:
N/A
Best Match:
N/A

COMT_HUMAN

Docking Scores:
-7.77 -7.73 -7.54
Similarity Score:
33.33%
Best Match:
CHEMBL3818719

CRP_HUMAN

Docking Scores:
-6.70 -6.09
Similarity Score:
N/A
Best Match:
N/A

CXCR1_HUMAN

Docking Scores:
-0.43
Similarity Score:
26.78%
Best Match:
CHEMBL556862

CXCR4_HUMAN

Docking Scores:
-9.73 -8.15 -8.77
Similarity Score:
59.15%
Best Match:
CHEMBL2170299

DRD2_HUMAN

Docking Scores:
-11.25
Similarity Score:
70.51%
Best Match:
CHEMBL185156

DRD3_HUMAN

Docking Scores:
-10.65
Similarity Score:
92.54%
Best Match:
CHEMBL485227

DRD4_HUMAN

Docking Scores:
-10.43 -10.19
Similarity Score:
92.54%
Best Match:
CHEMBL485227

EDN1_HUMAN

Docking Scores:
-10.39
Similarity Score:
N/A
Best Match:
N/A

ESR1_HUMAN

Docking Scores:
-10.08 -9.29 -9.36
Similarity Score:
56.00%
Best Match:
CHEMBL244001

FABP5_HUMAN

Docking Scores:
-5.99 -6.65 -7.02
Similarity Score:
30.87%
Best Match:
CHEMBL3941588

FYN_HUMAN

Docking Scores:
-9.35
Similarity Score:
54.32%
Best Match:
CHEMBL1968394

GLRA3_HUMAN

Docking Scores:
-10.51 -9.66 -9.87
Similarity Score:
15.05%
Best Match:
CHEMBL4074873

GLRA3_HUMAN

Docking Scores:
-10.48
Similarity Score:
15.05%
Best Match:
CHEMBL4074873

GRM5_HUMAN

Docking Scores:
-9.39 -6.83 -7.42
Similarity Score:
66.67%
Best Match:
CHEMBL539185

HPGDS_HUMAN

Docking Scores:
-9.65 -9.91 -10.33
Similarity Score:
50.48%
Best Match:
CHEMBL4438813

HRH1_HUMAN

Docking Scores:
-9.17
Similarity Score:
55.17%
Best Match:
CHEMBL1882801

HYES_HUMAN

Docking Scores:
-10.52 -9.35 -9.57
Similarity Score:
75.34%
Best Match:
CHEMBL1507203

IKKB_HUMAN

Docking Scores:
-9.67
Similarity Score:
43.85%
Best Match:
CHEMBL4552331

MDR1_HUMAN

Docking Scores:
-10.15 -10.62
Similarity Score:
58.90%
Best Match:
CHEMBL2398097

MIF_HUMAN

Docking Scores:
-9.24 -9.63 -9.17
Similarity Score:
44.23%
Best Match:
CHEMBL4203719

MK01_HUMAN

Docking Scores:
-8.72 -8.78 -9.53
Similarity Score:
56.96%
Best Match:
CHEMBL1977135

MK03_HUMAN

Docking Scores:
-9.63 -9.64 -9.23
Similarity Score:
48.70%
Best Match:
CHEMBL3798926

MTOR_HUMAN

Docking Scores:
-11.39 -11.58 -11.41
Similarity Score:
43.28%
Best Match:
CHEMBL1795875

NEP_HUMAN

Docking Scores:
-8.59 -8.78 -10.38
Similarity Score:
55.29%
Best Match:
CHEMBL378050

NK1R_HUMAN

Docking Scores:
-9.62 -9.52 -9.69
Similarity Score:
58.88%
Best Match:
CHEMBL305375

NMDE1_HUMAN

Docking Scores:
-11.00 -10.10 -10.54
Similarity Score:
30.77%
Best Match:
CHEMBL284237

NMDE2_HUMAN

Docking Scores:
-11.85 -10.97 -10.69
Similarity Score:
50.59%
Best Match:
CHEMBL4636728

NMDZ1_HUMAN

Docking Scores:
-11.10 -9.87 -10.54
Similarity Score:
32.14%
Best Match:
CHEMBL354003

NOS1_HUMAN

Docking Scores:
-10.68 -10.97 -10.32
Similarity Score:
42.86%
Best Match:
CHEMBL258348

NOS2_HUMAN

Docking Scores:
-9.73 -9.83 -3.54
Similarity Score:
44.94%
Best Match:
CHEMBL3589087

NTRK1_HUMAN

Docking Scores:
-9.69 -11.13 -10.75
Similarity Score:
53.49%
Best Match:
CHEMBL1976290

OPRD_HUMAN

Docking Scores:
-8.79 -8.03 -8.96
Similarity Score:
65.43%
Best Match:
CHEMBL27579

OPRK_HUMAN

Docking Scores:
-10.72 -10.51 -9.62
Similarity Score:
63.86%
Best Match:
CHEMBL340724

OPRM_MOUSE

Docking Scores:
-9.54 -9.73
Similarity Score:
61.63%
Best Match:
CHEMBL2051964

OPRX_HUMAN

Docking Scores:
-8.97 -8.83 -9.20
Similarity Score:
60.76%
Best Match:
CHEMBL3969636

P2RX3_HUMAN

Docking Scores:
-6.87 -6.97 -7.48
Similarity Score:
41.10%
Best Match:
CHEMBL3669697

P2Y12_HUMAN

Docking Scores:
-9.49 -8.79 -10.02
Similarity Score:
48.28%
Best Match:
CHEMBL599606

PAR1_HUMAN

Docking Scores:
-9.70
Similarity Score:
46.30%
Best Match:
CHEMBL3658415

PDE4B_HUMAN

Docking Scores:
-9.94 -9.58 -10.28
Similarity Score:
41.03%
Best Match:
CHEMBL288928

PDE5A_HUMAN

Docking Scores:
-9.81 -10.05 -10.28
Similarity Score:
43.80%
Best Match:
CHEMBL190423

PERM_HUMAN

Docking Scores:
-8.69 -8.94 -9.01
Similarity Score:
42.17%
Best Match:
CHEMBL3892909

PGH1_SHEEP

Docking Scores:
-8.11 -9.66 -8.27
Similarity Score:
50.00%
Best Match:
CHEMBL268643

PGH2_HUMAN

Docking Scores:
-3.90 -8.13 -9.33
Similarity Score:
47.27%
Best Match:
CHEMBL148931

PPAP_HUMAN

Docking Scores:
-8.88 -9.39
Similarity Score:
27.84%
Best Match:
CHEMBL498632

PPARG_HUMAN

Docking Scores:
-9.48 -9.97 -9.62
Similarity Score:
52.50%
Best Match:
CHEMBL3695819

PRGR_HUMAN

Docking Scores:
-0.04 1.11 -5.36
Similarity Score:
45.22%
Best Match:
CHEMBL144345

PTGES_HUMAN

Docking Scores:
-7.61
Similarity Score:
51.30%
Best Match:
CHEMBL3092283

SC6A4_HUMAN

Docking Scores:
-11.09 -10.66 -10.49
Similarity Score:
71.60%
Best Match:
CHEMBL3612829

SCN9A_HUMAN

Docking Scores:
-9.57
Similarity Score:
56.98%
Best Match:
CHEMBL2152694

TLR4_HUMAN

Docking Scores:
-10.59 -10.78 -10.33
Similarity Score:
41.38%
Best Match:
CHEMBL4173765

TNFA_HUMAN

Docking Scores:
-8.23 -8.46 -6.99
Similarity Score:
41.18%
Best Match:
CHEMBL11440

TRBM_HUMAN

Docking Scores:
-9.30 -7.09
Similarity Score:
N/A
Best Match:
N/A

TRPM4_HUMAN

Docking Scores:
-8.28 -8.21
Similarity Score:
21.80%
Best Match:
CHEMBL1408302

TRPM8_FICAL

Docking Scores:
-10.52
Similarity Score:
N/A
Best Match:
N/A

TRPV1_RAT

Docking Scores:
-10.64
Similarity Score:
51.69%
Best Match:
CHEMBL86708

TRPV2_RABIT

Docking Scores:
-9.23 -9.16
Similarity Score:
N/A
Best Match:
N/A

TRPV3_HUMAN

Docking Scores:
-9.10 -7.41
Similarity Score:
40.62%
Best Match:
CHEMBL3639953

TRXR1_HUMAN

Docking Scores:
-9.62 -9.83 -7.74
Similarity Score:
30.37%
Best Match:
CHEMBL4459518

TRY1_HUMAN

Docking Scores:
-7.67
Similarity Score:
54.78%
Best Match:
CHEMBL45106