BDBM50441591 CHEMBL2437167

SMILES: Clc1ccc(OCC(=O)NNC(=S)NCCCc2ccccc2)cc1

InChI Key: InChIKey=VHTYTQBZRUPCTE-UHFFFAOYSA-N

Data: 2 IC50

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 = 50441591   

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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) (Homo sapiens (Human))	BDBM50441591 (CHEMBL2437167) Show SMILES Clc1ccc(OCC(=O)NNC(=S)NCCCc2ccccc2)cc1 Show InChI InChI=1S/C18H20ClN3O2S/c19-15-8-10-16(11-9-15)24-13-17(23)21-22-18(25)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2,(H,21,23)(H2,20,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of human recombinant ADAMTS-4 using QTVTWPDMELPLPRNITEGEARGSVIL-TVKPIFEVSPSPL(biotinyl)K as substrate incubated for 10 mins prior to subst...				Eur J Med Chem 69: 244-61 (2013) Article DOI: 10.1016/j.ejmech.2013.08.027 BindingDB Entry DOI: 10.7270/Q2J967TM
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) (Homo sapiens (Human))	BDBM50441591 (CHEMBL2437167) Show SMILES Clc1ccc(OCC(=O)NNC(=S)NCCCc2ccccc2)cc1 Show InChI InChI=1S/C18H20ClN3O2S/c19-15-8-10-16(11-9-15)24-13-17(23)21-22-18(25)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2,(H,21,23)(H2,20,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of human recombinant ADAMTS-5 using ARGSVILTV-KPIFEVSPSPL(biotinyl)K as substrate incubated 10 mins prior to substrate addition measured a...				Eur J Med Chem 69: 244-61 (2013) Article DOI: 10.1016/j.ejmech.2013.08.027 BindingDB Entry DOI: 10.7270/Q2J967TM
					More data for this Ligand-Target Pair