BDBM50136617 CHEMBL3753468

SMILES: Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2nc[nH]n2)c1)-n1cnnn1

InChI Key: InChIKey=WHOXDSZCKOLBJX-NWMLYGLHSA-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 = 50136617   

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))	BDBM50136617 (CHEMBL3753468) Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2nc[nH]n2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C27H22ClN9O2/c28-21-9-12-24(37-17-31-35-36-37)20(15-21)8-13-25(38)33-23(14-18-4-2-1-3-5-18)27(39)32-22-10-6-19(7-11-22)26-29-16-30-34-26/h1-13,15-17,23H,14H2,(H,32,39)(H,33,38)(H,29,30,34)/b13-8+/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	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))	BDBM50136617 (CHEMBL3753468) Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2nc[nH]n2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C27H22ClN9O2/c28-21-9-12-24(37-17-31-35-36-37)20(15-21)8-13-25(38)33-23(14-18-4-2-1-3-5-18)27(39)32-22-10-6-19(7-11-22)26-29-16-30-34-26/h1-13,15-17,23H,14H2,(H,32,39)(H,33,38)(H,29,30,34)/b13-8+/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	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