BDBM50136613 CHEMBL3753374

SMILES: OC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c1

InChI Key: InChIKey=COFIKGMOVADSSV-FQTAANOTSA-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 = 50136613   

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))	BDBM50136613 (CHEMBL3753374) Show SMILES OC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C26H21ClN6O4/c27-20-10-11-23(33-16-28-31-32-33)18(14-20)9-12-24(34)30-22(13-17-5-2-1-3-6-17)25(35)29-21-8-4-7-19(15-21)26(36)37/h1-12,14-16,22H,13H2,(H,29,35)(H,30,34)(H,36,37)/b12-9+/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	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))	BDBM50136613 (CHEMBL3753374) Show SMILES OC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C26H21ClN6O4/c27-20-10-11-23(33-16-28-31-32-33)18(14-20)9-12-24(34)30-22(13-17-5-2-1-3-6-17)25(35)29-21-8-4-7-19(15-21)26(36)37/h1-12,14-16,22H,13H2,(H,29,35)(H,30,34)(H,36,37)/b12-9+/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	270	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