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BDBM50250489 CHEMBL4090783

SMILES: COC(=O)N1CCN(CC1)c1cccc2C(N(CCc12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key: InChIKey=NUFLHECSVMFRMU-KPKJPENVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50250489   
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 XI


(Homo sapiens (Human))		BDBM50250489
PNG
(CHEMBL4090783)
Show SMILES COC(=O)N1CCN(CC1)c1cccc2C(N(CCc12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C33H31ClN8O6/c1-48-33(47)40-17-15-39(16-18-40)28-4-2-3-26-25(28)13-14-41(30(26)31(44)36-24-9-5-21(6-10-24)32(45)46)29(43)12-7-22-19-23(34)8-11-27(22)42-20-35-37-38-42/h2-12,19-20,30H,13-18H2,1H3,(H,36,44)(H,45,46)/b12-7+
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Article
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<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method

J Med Chem 60: 9703-9723 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01171
BindingDB Entry DOI: 10.7270/Q2K64MHN
More data for this
Ligand-Target Pair