BDBM50250497 CHEMBL4070724

SMILES: COC(=O)c1ccc2CCN(C(C(=O)Nc3ccc(cc3)C(O)=O)c2c1)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1

InChI Key: InChIKey=CCEBIOZOVWTMKP-IZZDOVSWSA-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 = 50250497   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Coagulation factor XI (Homo sapiens (Human))	BDBM50250497 (CHEMBL4070724) Show SMILES COC(=O)c1ccc2CCN(C(C(=O)Nc3ccc(cc3)C(O)=O)c2c1)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C29H23ClN6O6/c1-42-29(41)20-3-2-17-12-13-35(25(37)11-6-19-14-21(30)7-10-24(19)36-16-31-33-34-36)26(23(17)15-20)27(38)32-22-8-4-18(5-9-22)28(39)40/h2-11,14-16,26H,12-13H2,1H3,(H,32,38)(H,39,40)/b11-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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