BDBM50278995 CHEMBL497738::rac-2-(4-(but-2-ynyloxy)phenylsulfonamido)-3-(1-isobutyl-5-methoxy-1H-indol-3-yl)propanoic acid

SMILES: COc1ccc2n(CC(C)C)cc(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1

InChI Key: InChIKey=FFAABIRLPNWOLW-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50278995   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50278995 (CHEMBL497738 | rac-2-(4-(but-2-ynyloxy)phenylsulfo...) Show SMILES COc1ccc2n(CC(C)C)cc(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C26H30N2O6S/c1-5-6-13-34-20-7-10-22(11-8-20)35(31,32)27-24(26(29)30)14-19-17-28(16-18(2)3)25-12-9-21(33-4)15-23(19)25/h7-12,15,17-18,24,27H,13-14,16H2,1-4H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem 17: 3857-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.033 BindingDB Entry DOI: 10.7270/Q2DR2VCZ
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