BDBM50516724 CHEMBL4588743

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N2CCC[C@H]2C(O)=O)c2ccccc12

InChI Key: InChIKey=XIIZECUWKNXLCU-QFIPXVFZSA-N

Data: 1 IC50  2 Kd

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 4 hits for monomerid = 50516724   

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))	BDBM50516724 (CHEMBL4588743) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N2CCC[C@H]2C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C24H24N2O7S/c1-33-16-8-10-17(11-9-16)34(31,32)26(15-23(27)28)21-13-12-20(18-5-2-3-6-19(18)21)25-14-4-7-22(25)24(29)30/h2-3,5-6,8-13,22H,4,7,14-15H2,1H3,(H,27,28)(H,29,30)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to biotinylated human KEAP1 Kelch domain (322 to 609 residues) by biolayer interferometry				J Med Chem 62: 6796-6813 (2019) Article DOI: 10.1021/acs.jmedchem.9b00818
					More data for this Ligand-Target Pair
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50516724 (CHEMBL4588743) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N2CCC[C@H]2C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C24H24N2O7S/c1-33-16-8-10-17(11-9-16)34(31,32)26(15-23(27)28)21-13-12-20(18-5-2-3-6-19(18)21)25-14-4-7-22(25)24(29)30/h2-3,5-6,8-13,22H,4,7,14-15H2,1H3,(H,27,28)(H,29,30)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50516724 (CHEMBL4588743) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N2CCC[C@H]2C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C24H24N2O7S/c1-33-16-8-10-17(11-9-16)34(31,32)26(15-23(27)28)21-13-12-20(18-5-2-3-6-19(18)21)25-14-4-7-22(25)24(29)30/h2-3,5-6,8-13,22H,4,7,14-15H2,1H3,(H,27,28)(H,29,30)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) by isothermal titration calorimetric method				J Med Chem 62: 6796-6813 (2019) Article DOI: 10.1021/acs.jmedchem.9b00818
					More data for this Ligand-Target Pair
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50516724 (CHEMBL4588743) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N2CCC[C@H]2C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C24H24N2O7S/c1-33-16-8-10-17(11-9-16)34(31,32)26(15-23(27)28)21-13-12-20(18-5-2-3-6-19(18)21)25-14-4-7-22(25)24(29)30/h2-3,5-6,8-13,22H,4,7,14-15H2,1H3,(H,27,28)(H,29,30)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of FITC-LDEETGEFL-NH2 from human KEAP1 Kelch domain (322 to 609 residues) measured after 30 mins by fluorescence polarization assay				J Med Chem 62: 6796-6813 (2019) Article DOI: 10.1021/acs.jmedchem.9b00818
					More data for this Ligand-Target Pair