BDBM50136612 CHEMBL3752735

SMILES: COC(=O)Nc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c1

InChI Key: InChIKey=HADFRPUJFZOUES-YYVWFHOOSA-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 = 50136612   

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))	BDBM50136612 (CHEMBL3752735) Show SMILES COC(=O)Nc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C27H24ClN7O4/c1-39-27(38)31-22-9-5-8-21(16-22)30-26(37)23(14-18-6-3-2-4-7-18)32-25(36)13-10-19-15-20(28)11-12-24(19)35-17-29-33-34-35/h2-13,15-17,23H,14H2,1H3,(H,30,37)(H,31,38)(H,32,36)/b13-10+/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	173	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))	BDBM50136612 (CHEMBL3752735) Show SMILES COC(=O)Nc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C27H24ClN7O4/c1-39-27(38)31-22-9-5-8-21(16-22)30-26(37)23(14-18-6-3-2-4-7-18)32-25(36)13-10-19-15-20(28)11-12-24(19)35-17-29-33-34-35/h2-13,15-17,23H,14H2,1H3,(H,30,37)(H,31,38)(H,32,36)/b13-10+/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	350	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