BDBM50441588 CHEMBL2437159

SMILES: O=C(COc1cccc2ccccc12)NNC(=S)NCCCCC1CCCCC1

InChI Key: InChIKey=IOBCRLWDQPOVFD-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 = 50441588   

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))	BDBM50441588 (CHEMBL2437159) Show SMILES O=C(COc1cccc2ccccc12)NNC(=S)NCCCCC1CCCCC1 Show InChI InChI=1S/C23H31N3O2S/c27-22(17-28-21-15-8-13-19-12-4-5-14-20(19)21)25-26-23(29)24-16-7-6-11-18-9-2-1-3-10-18/h4-5,8,12-15,18H,1-3,6-7,9-11,16-17H2,(H,25,27)(H2,24,26,29)	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	1.00E+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))	BDBM50441588 (CHEMBL2437159) Show SMILES O=C(COc1cccc2ccccc12)NNC(=S)NCCCCC1CCCCC1 Show InChI InChI=1S/C23H31N3O2S/c27-22(17-28-21-15-8-13-19-12-4-5-14-20(19)21)25-26-23(29)24-16-7-6-11-18-9-2-1-3-10-18/h4-5,8,12-15,18H,1-3,6-7,9-11,16-17H2,(H,25,27)(H2,24,26,29)	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	880	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