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

InChI Key: InChIKey=NGSBGEPVNBRIAZ-QAZCHZEGSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 405985   
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))		BDBM405985
PNG
(US10351558, Example 160)
Show SMILES Cc1ccc2n3C[C@@](CCc3c(\C=C\C(O)=O)c2c1)(NC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1 |r|
Show InChI InChI=1S/C31H26ClN5O3/c1-20-7-11-27-25(15-20)23(10-12-29(38)39)28-13-14-31(17-37(27)28,21-5-3-2-4-6-21)35-30(40)24-9-8-22(16-26(24)32)36-18-33-34-19-36/h2-12,15-16,18-19H,13-14,17H2,1H3,(H,35,40)(H,38,39)/b12-10+/t31-/m1/s1
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PC cid
PC sid
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US Patent
n/an/a 0.820n/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