BDBM50136615 CHEMBL3751935

SMILES: Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-n2cnnn2)c1)-n1cnnn1

InChI Key: InChIKey=JETYKMQJWVKTJR-APYIBEOOSA-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 = 50136615   

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))	BDBM50136615 (CHEMBL3751935) Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-n2cnnn2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C26H21ClN10O2/c27-20-7-12-24(37-17-29-33-35-37)19(15-20)6-13-25(38)31-23(14-18-4-2-1-3-5-18)26(39)30-21-8-10-22(11-9-21)36-16-28-32-34-36/h1-13,15-17,23H,14H2,(H,30,39)(H,31,38)/b13-6+/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	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))	BDBM50136615 (CHEMBL3751935) Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-n2cnnn2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C26H21ClN10O2/c27-20-7-12-24(37-17-29-33-35-37)19(15-20)6-13-25(38)31-23(14-18-4-2-1-3-5-18)26(39)30-21-8-10-22(11-9-21)36-16-28-32-34-36/h1-13,15-17,23H,14H2,(H,30,39)(H,31,38)/b13-6+/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	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