CBD #241 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

5HT1B_HUMAN

Docking Scores:
-8.14 -7.68 -7.95
Similarity Score:
49.40%
Best Match:
CHEMBL146942

5HT2A_HUMAN

Docking Scores:
-8.06 -8.58
Similarity Score:
46.74%
Best Match:
CHEMBL268890

5HT2B_HUMAN

Docking Scores:
-7.65 -7.57 -7.84
Similarity Score:
41.98%
Best Match:
CHEMBL510383

5HT2C_HUMAN

Docking Scores:
-8.22 -8.22
Similarity Score:
41.98%
Best Match:
CHEMBL510383

AA1R_HUMAN

Docking Scores:
-7.64 -7.91 -6.95
Similarity Score:
26.67%
Best Match:
CHEMBL103150

AA2AR_HUMAN

Docking Scores:
-7.37 -7.32 -7.99
Similarity Score:
27.00%
Best Match:
CHEMBL496

ACES_HUMAN

Docking Scores:
-8.83 -9.41 -7.54
Similarity Score:
49.14%
Best Match:
CHEMBL3818616

ACE_HUMAN

Docking Scores:
-7.25 -7.61 -6.90
Similarity Score:
28.68%
Best Match:
CHEMBL55583

ACHA9_HUMAN

Docking Scores:
-6.35
Similarity Score:
15.15%
Best Match:
CHEMBL386114

ACHB2_HUMAN

Docking Scores:
-5.82 -6.40 -6.54
Similarity Score:
N/A
Best Match:
N/A

ACM1_HUMAN

Docking Scores:
-8.39 -4.00
Similarity Score:
41.90%
Best Match:
CHEMBL3085495

ACM4_HUMAN

Docking Scores:
-9.04 -7.26
Similarity Score:
41.90%
Best Match:
CHEMBL3085495

ADRB2_HUMAN

Docking Scores:
-7.45 -8.43 -8.18
Similarity Score:
37.89%
Best Match:
CHEMBL1800960

AGTR2_HUMAN

Docking Scores:
-8.87 -8.35 -8.81
Similarity Score:
25.84%
Best Match:
CHEMBL154057

ALDR_HUMAN

Docking Scores:
-8.54 -7.17 -7.28
Similarity Score:
39.58%
Best Match:
CHEMBL129795

AMPN_HUMAN

Docking Scores:
-6.92 -7.17 -7.18
Similarity Score:
27.39%
Best Match:
CHEMBL1782887

AOFA_HUMAN

Docking Scores:
-8.81 -8.89 -8.06
Similarity Score:
42.99%
Best Match:
CHEMBL3909535

AOFB_HUMAN

Docking Scores:
-8.29 -7.87 -8.34
Similarity Score:
42.99%
Best Match:
CHEMBL3909535

BACE1_HUMAN

Docking Scores:
-6.62 -7.13 -7.45
Similarity Score:
53.68%
Best Match:
CHEMBL261063

CAH2_HUMAN

Docking Scores:
-6.81 -6.58 -6.48
Similarity Score:
42.71%
Best Match:
CHEMBL68257

CASP1_HUMAN

Docking Scores:
-5.69 -6.85 -5.91
Similarity Score:
26.55%
Best Match:
CHEMBL466565

CDK5_HUMAN

Docking Scores:
-7.09 -7.52 -5.69
Similarity Score:
33.64%
Best Match:
CHEMBL2000879

CHLE_HUMAN

Docking Scores:
-7.93 -8.07 -8.33
Similarity Score:
40.19%
Best Match:
CHEMBL3586200

CNR1_HUMAN

Docking Scores:
-6.98 -8.42 -8.77
Similarity Score:
98.61%
Best Match:
CHEMBL394305

CNR2_HUMAN

Docking Scores:
-8.94 -8.59
Similarity Score:
100.00%
Best Match:
CHEMBL236171

COLI_HUMAN

Docking Scores:
-7.41 -7.42 -6.65
Similarity Score:
N/A
Best Match:
N/A

COMT_HUMAN

Docking Scores:
-5.78 -5.96 -5.60
Similarity Score:
22.58%
Best Match:
CHEMBL1324

CRP_HUMAN

Docking Scores:
-5.38 -5.30
Similarity Score:
N/A
Best Match:
N/A

CXCR1_HUMAN

Docking Scores:
-6.95
Similarity Score:
24.71%
Best Match:
CHEMBL254370

CXCR4_HUMAN

Docking Scores:
-7.67 -6.70 -6.91
Similarity Score:
32.14%
Best Match:
CHEMBL126657

DRD2_HUMAN

Docking Scores:
-6.91
Similarity Score:
42.86%
Best Match:
CHEMBL1159663

DRD3_HUMAN

Docking Scores:
-7.34
Similarity Score:
62.75%
Best Match:
CHEMBL4082631

DRD4_HUMAN

Docking Scores:
-7.94 -8.17
Similarity Score:
40.82%
Best Match:
CHEMBL334472

EDN1_HUMAN

Docking Scores:
-6.50
Similarity Score:
N/A
Best Match:
N/A

ESR1_HUMAN

Docking Scores:
-8.60 -8.40 -8.37
Similarity Score:
57.83%
Best Match:
CHEMBL57150

FABP5_HUMAN

Docking Scores:
-7.92 -4.84 -5.16
Similarity Score:
23.62%
Best Match:
CHEMBL212860

FYN_HUMAN

Docking Scores:
-7.49
Similarity Score:
30.00%
Best Match:
CHEMBL1975923

GLRA3_HUMAN

Docking Scores:
-8.15 -7.72 -8.32
Similarity Score:
13.97%
Best Match:
CHEMBL4070615

GLRA3_HUMAN

Docking Scores:
-8.95
Similarity Score:
13.97%
Best Match:
CHEMBL4070615

GRM5_HUMAN

Docking Scores:
-7.01 -5.23 -5.53
Similarity Score:
34.58%
Best Match:
CHEMBL1289626

HPGDS_HUMAN

Docking Scores:
-6.88 -6.25 -6.27
Similarity Score:
20.00%
Best Match:
CHEMBL3698265

HRH1_HUMAN

Docking Scores:
-5.70
Similarity Score:
41.90%
Best Match:
CHEMBL1101

HYES_HUMAN

Docking Scores:
-7.98 -7.95 -7.43
Similarity Score:
36.84%
Best Match:
CHEMBL1358

IKKB_HUMAN

Docking Scores:
-6.47
Similarity Score:
41.58%
Best Match:
CHEMBL3318321

MDR1_HUMAN

Docking Scores:
-7.94 -7.61
Similarity Score:
42.53%
Best Match:
CHEMBL1405

MIF_HUMAN

Docking Scores:
-6.98 -7.05 -7.15
Similarity Score:
27.94%
Best Match:
CHEMBL3797437

MK01_HUMAN

Docking Scores:
-6.19 -6.98 -7.37
Similarity Score:
38.03%
Best Match:
CHEMBL2012519

MK03_HUMAN

Docking Scores:
-7.00 -7.41 -6.93
Similarity Score:
29.56%
Best Match:
CHEMBL555017

MTOR_HUMAN

Docking Scores:
-8.59 -8.32 -7.83
Similarity Score:
34.17%
Best Match:
CHEMBL1797428

NEP_HUMAN

Docking Scores:
-6.92 -7.08 -6.55
Similarity Score:
29.81%
Best Match:
CHEMBL4070297

NK1R_HUMAN

Docking Scores:
-7.85 -7.40 -7.24
Similarity Score:
40.98%
Best Match:
CHEMBL2114439

NMDE1_HUMAN

Docking Scores:
-7.11 -6.76 -7.47
Similarity Score:
25.44%
Best Match:
CHEMBL284237

NMDE2_HUMAN

Docking Scores:
-7.17 -8.61 -7.43
Similarity Score:
36.63%
Best Match:
CHEMBL3357784

NMDZ1_HUMAN

Docking Scores:
-7.12 -6.91 -7.47
Similarity Score:
23.19%
Best Match:
CHEMBL419399

NOS1_HUMAN

Docking Scores:
-8.59 -8.54 -7.26
Similarity Score:
28.57%
Best Match:
CHEMBL85613

NOS2_HUMAN

Docking Scores:
-6.36 -8.10 -8.13
Similarity Score:
28.26%
Best Match:
CHEMBL450583

NTRK1_HUMAN

Docking Scores:
-7.60 -8.01 -7.89
Similarity Score:
34.92%
Best Match:
CHEMBL1978371

OPRD_HUMAN

Docking Scores:
-6.66 -6.42 -6.91
Similarity Score:
45.54%
Best Match:
CHEMBL437949

OPRK_HUMAN

Docking Scores:
-8.78 -8.42 -7.36
Similarity Score:
45.54%
Best Match:
CHEMBL437949

OPRM_MOUSE

Docking Scores:
-7.71 -9.02
Similarity Score:
40.62%
Best Match:
CHEMBL151341

OPRX_HUMAN

Docking Scores:
-7.18 -7.31 -7.18
Similarity Score:
37.50%
Best Match:
CHEMBL3785718

P2RX3_HUMAN

Docking Scores:
-5.28 -5.11 -5.54
Similarity Score:
28.66%
Best Match:
CHEMBL3669726

P2Y12_HUMAN

Docking Scores:
-6.78 -6.77 -6.21
Similarity Score:
22.60%
Best Match:
CHEMBL88799

PAR1_HUMAN

Docking Scores:
-8.41
Similarity Score:
30.00%
Best Match:
CHEMBL231695

PDE4B_HUMAN

Docking Scores:
-7.07 -7.79 -7.28
Similarity Score:
34.90%
Best Match:
CHEMBL313041

PDE5A_HUMAN

Docking Scores:
-7.21 -7.35 -7.49
Similarity Score:
27.33%
Best Match:
CHEMBL193059

PERM_HUMAN

Docking Scores:
-7.33 -7.59 -7.38
Similarity Score:
40.66%
Best Match:
CHEMBL3920217

PGH1_SHEEP

Docking Scores:
-5.63 -8.33 -7.18
Similarity Score:
40.50%
Best Match:
CHEMBL229957

PGH2_HUMAN

Docking Scores:
-5.76 -6.08 -7.24
Similarity Score:
56.32%
Best Match:
CHEMBL1242095

PPAP_HUMAN

Docking Scores:
-7.33
Similarity Score:
20.80%
Best Match:
CHEMBL507996

PPARG_HUMAN

Docking Scores:
-6.82 -6.83 -6.79
Similarity Score:
63.86%
Best Match:
CHEMBL500257

PRGR_HUMAN

Docking Scores:
-8.98 -8.94 -8.83
Similarity Score:
59.18%
Best Match:
CHEMBL48746

PTGES_HUMAN

Docking Scores:
-6.42
Similarity Score:
58.00%
Best Match:
CHEMBL3608370

SC6A4_HUMAN

Docking Scores:
-8.62 -8.20 -9.02
Similarity Score:
39.78%
Best Match:
CHEMBL691

SCN9A_HUMAN

Docking Scores:
-6.79
Similarity Score:
34.91%
Best Match:
CHEMBL381488

TLR4_HUMAN

Docking Scores:
-7.76 -7.70 -7.41
Similarity Score:
27.27%
Best Match:
CHEMBL4071705

TNFA_HUMAN

Docking Scores:
-7.48
Similarity Score:
29.69%
Best Match:
CHEMBL2337619

TRBM_HUMAN

Docking Scores:
-7.28 -6.82
Similarity Score:
N/A
Best Match:
N/A

TRPM4_HUMAN

Docking Scores:
-5.93 -6.18
Similarity Score:
N/A
Best Match:
N/A

TRPM8_FICAL

Docking Scores:
-8.67
Similarity Score:
N/A
Best Match:
N/A

TRPV1_RAT

Docking Scores:
-7.87
Similarity Score:
36.21%
Best Match:
CHEMBL2057859

TRPV2_RABIT

Docking Scores:
-6.27 -6.63
Similarity Score:
N/A
Best Match:
N/A

TRPV3_HUMAN

Docking Scores:
-6.62 -7.19
Similarity Score:
29.87%
Best Match:
CHEMBL3664218

TRXR1_HUMAN

Docking Scores:
-7.49 -7.52 -5.98
Similarity Score:
N/A
Best Match:
N/A

TRY1_HUMAN

Docking Scores:
-5.86
Similarity Score:
32.03%
Best Match:
CHEMBL440176