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SMILES: Cc1ccc2n3C[C@@](CCc3c(-c3cncc(N)c3)c2c1)(NC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1

InChI Key: InChIKey=KOXGJZANKGEULT-MGBGTMOVSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 406014   
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))		BDBM406014
PNG
(US10351558, Example 189)
Show SMILES Cc1ccc2n3C[C@@](CCc3c(-c3cncc(N)c3)c2c1)(NC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1 |r|
Show InChI InChI=1S/C33H28ClN7O/c1-21-7-10-29-27(13-21)31(22-14-24(35)17-36-16-22)30-11-12-33(18-41(29)30,23-5-3-2-4-6-23)39-32(42)26-9-8-25(15-28(26)34)40-19-37-38-20-40/h2-10,13-17,19-20H,11-12,18,35H2,1H3,(H,39,42)/t33-/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