BDBM50538485 CHEMBL4647075

SMILES: COc1ccc(cc1)S(=O)(=O)Nc1ccc(CCC(O)=O)c2ccccc12

InChI Key: InChIKey=XTZHHZTZEHWJCZ-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 = 50538485   

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
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50538485 (CHEMBL4647075) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(CCC(O)=O)c2ccccc12 Show InChI InChI=1S/C20H19NO5S/c1-26-15-8-10-16(11-9-15)27(24,25)21-19-12-6-14(7-13-20(22)23)17-4-2-3-5-18(17)19/h2-6,8-12,21H,7,13H2,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of FITC-9mer Nrf2 peptide binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) b...				ACS Med Chem Lett 11: 521-527 (2020)
					More data for this Ligand-Target Pair