BDBM50136616 CHEMBL3752951

SMILES: Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2ncc[nH]2)c1)-n1cnnn1

InChI Key: InChIKey=XLXJXSYABWWLCS-IEKAHNGHSA-N

Data: 2 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 2 hits for monomerid = 50136616   

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))	BDBM50136616 (CHEMBL3752951) Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2ncc[nH]2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C28H23ClN8O2/c29-22-9-12-25(37-18-32-35-36-37)21(17-22)8-13-26(38)34-24(16-19-4-2-1-3-5-19)28(39)33-23-10-6-20(7-11-23)27-30-14-15-31-27/h1-15,17-18,24H,16H2,(H,30,31)(H,33,39)(H,34,38)/b13-8+/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.5	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 coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy...				Bioorg Med Chem Lett 26: 472-8 (2016) BindingDB Entry DOI: 10.7270/Q27H1MFM
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50136616 (CHEMBL3752951) Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2ncc[nH]2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C28H23ClN8O2/c29-22-9-12-25(37-18-32-35-36-37)21(17-22)8-13-26(38)34-24(16-19-4-2-1-3-5-19)28(39)33-23-10-6-20(7-11-23)27-30-14-15-31-27/h1-15,17-18,24H,16H2,(H,30,31)(H,33,39)(H,34,38)/b13-8+/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	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 plasma kallikrein				Bioorg Med Chem Lett 26: 472-8 (2016) BindingDB Entry DOI: 10.7270/Q27H1MFM
					More data for this Ligand-Target Pair