BDBM50525765 CHEMBL4455657

SMILES: COC(=O)Nc1ccc(cc1)-c1c[nH]c(n1)[C@@H]1[C@H](CCN1C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)c1ccccc1

InChI Key: InChIKey=CDVABLLMEJYRTE-MEUNYIKCSA-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 = 50525765   

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))	BDBM50525765 (CHEMBL4455657) Show SMILES COC(=O)Nc1ccc(cc1)-c1c[nH]c(n1)[C@@H]1[C@H](CCN1C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)c1ccccc1 |r| Show InChI InChI=1S/C31H27ClN8O3/c1-43-31(42)35-24-11-7-21(8-12-24)26-18-33-30(36-26)29-25(20-5-3-2-4-6-20)15-16-39(29)28(41)14-9-22-17-23(32)10-13-27(22)40-19-34-37-38-40/h2-14,17-19,25,29H,15-16H2,1H3,(H,33,36)(H,35,42)/b14-9+/t25-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	372	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 activated coagulation factor 11 (unknown origin) assessed as inhibitory constant				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.008
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