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SMILES: Cc1ccc2n3C[C@@](CCc3c(C(N)=O)c2c1)(NC(=O)c1ccc(cc1)-n1cnnc1)c1ccccc1

InChI Key: InChIKey=QKVAUAFJUGPYLW-GDLZYMKVSA-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 = 405952   
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))		BDBM405952
PNG
(US10351558, Example 127)
Show SMILES Cc1ccc2n3C[C@@](CCc3c(C(N)=O)c2c1)(NC(=O)c1ccc(cc1)-n1cnnc1)c1ccccc1 |r|
Show InChI InChI=1S/C29H26N6O2/c1-19-7-12-24-23(15-19)26(27(30)36)25-13-14-29(16-35(24)25,21-5-3-2-4-6-21)33-28(37)20-8-10-22(11-9-20)34-17-31-32-18-34/h2-12,15,17-18H,13-14,16H2,1H3,(H2,30,36)(H,33,37)/t29-/m1/s1
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PC cid
PC sid
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US Patent
n/an/a 2.64n/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