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SMILES: Cc1ccc2n3C[C@@](CCc3nc2c1)(NC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccc2ccccc2c1

InChI Key: InChIKey=HQXWLUWEDUJPGG-WJOKGBTCSA-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 = 405923   
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))		BDBM405923
PNG
(US10351558, Example 98)
Show SMILES Cc1ccc2n3C[C@@](CCc3nc2c1)(NC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C31H25ClN6O/c1-20-6-11-28-27(14-20)35-29-12-13-31(17-38(28)29,23-8-7-21-4-2-3-5-22(21)15-23)36-30(39)25-10-9-24(16-26(25)32)37-18-33-34-19-37/h2-11,14-16,18-19H,12-13,17H2,1H3,(H,36,39)/t31-/m1/s1
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PC cid
PC sid
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US Patent
n/an/a 2.92n/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