BindingDB logo
myBDB logout

BDBM50250499 CHEMBL4063157

SMILES: OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3C(=O)N2CCCCC2)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1

InChI Key: InChIKey=QHZGOZWARZKRDI-NTEUORMPSA-N

Data: 1 KI

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 = 50250499   
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))		BDBM50250499
PNG
(CHEMBL4063157)
Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3C(=O)N2CCCCC2)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C33H30ClN7O5/c34-23-10-13-28(41-20-35-37-38-41)22(19-23)9-14-29(42)40-18-15-25-26(5-4-6-27(25)32(44)39-16-2-1-3-17-39)30(40)31(43)36-24-11-7-21(8-12-24)33(45)46/h4-14,19-20,30H,1-3,15-18H2,(H,36,43)(H,45,46)/b14-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 17n/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