BDBM50269207 CHEMBL4097522

SMILES: COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCC[C@H](C)CC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1

InChI Key: InChIKey=IVMDOZYQHUDMET-SXJUZZDLSA-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 = 50269207   

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))	BDBM50269207 (CHEMBL4097522) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCC[C@H](C)CC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C29H29Cl2N9O4/c1-16-4-3-5-21(34-24(41)11-6-17-13-18(30)7-10-23(17)40-15-32-38-39-40)28-36-26(27(31)37-28)20-9-8-19(33-29(43)44-2)14-22(20)35-25(42)12-16/h6-11,13-16,21H,3-5,12H2,1-2H3,(H,33,43)(H,34,41)(H,35,42)(H,36,37)/b11-6+/t16-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0600	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 XIa using S-2366 as chromogenic substrate after 60 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 27: 3833-3839 (2017) Article DOI: 10.1016/j.bmcl.2017.06.058 BindingDB Entry DOI: 10.7270/Q2GT5QPS
					More data for this Ligand-Target Pair