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SMILES: Cc1ccc2n3C[C@@](CCc3c(-c3cnc(nc3)C3CC3)c2c1)(NC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1

InChI Key: InChIKey=NIRWBPPJWNISPE-PGUFJCEWSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 406031   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Coagulation factor IX


(Homo sapiens (Human))		BDBM406031
PNG
(US10351558, Example 206)
Show SMILES Cc1ccc2n3C[C@@](CCc3c(-c3cnc(nc3)C3CC3)c2c1)(NC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1 |r|
Show InChI InChI=1S/C35H30ClN7O/c1-22-7-12-30-28(15-22)32(24-17-37-33(38-18-24)23-8-9-23)31-13-14-35(19-43(30)31,25-5-3-2-4-6-25)41-34(44)27-11-10-26(16-29(27)36)42-20-39-40-21-42/h2-7,10-12,15-18,20-21,23H,8-9,13-14,19H2,1H3,(H,41,44)/t35-/m1/s1
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MMDB

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PC cid
PC sid
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US Patent
n/an/a 1.58n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
TBD

US Patent US10351558 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GKR
More data for this
Ligand-Target Pair