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BDBM50250495 CHEMBL4081710

SMILES: OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCNCC2=O)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1

InChI Key: InChIKey=LOKYTXSIFANPGO-IINUCZPTSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50250495   
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))		BDBM50250495
PNG
(CHEMBL4081710)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCNCC2=O)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 |r|
Show InChI InChI=1S/C31H26ClFN8O5/c32-23-9-10-25(41-17-35-37-38-41)22(28(23)33)8-11-26(42)40-14-12-20-21(2-1-3-24(20)39-15-13-34-16-27(39)43)29(40)30(44)36-19-6-4-18(5-7-19)31(45)46/h1-11,17,29,34H,12-16H2,(H,36,44)(H,45,46)/b11-8+/t29-/m0/s1
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Similars
Article
PubMed
 1.40n/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