Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kelch-like ECH-associated protein 1' and Ligand = 'BDBM333453'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM333453 (US9737525, Compound MIND4) Show SMILES [O-][N+](=O)c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)c2ncccc12 Show InChI InChI=1S/C24H17N5O3S/c30-29(31)20-13-14-21(23-19(20)12-7-15-25-23)33-24-27-26-22(16-32-18-10-5-2-6-11-18)28(24)17-8-3-1-4-9-17/h1-15H,16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.28E+4	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to recombinant human Keap1 by SPR assay				J Med Chem 61: 8088-8103 (2018) Article DOI: 10.1021/acs.jmedchem.8b00358 BindingDB Entry DOI: 10.7270/Q2CJ8H17
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM333453 (US9737525, Compound MIND4) Show SMILES [O-][N+](=O)c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)c2ncccc12 Show InChI InChI=1S/C24H17N5O3S/c30-29(31)20-13-14-21(23-19(20)12-7-15-25-23)33-24-27-26-22(16-32-18-10-5-2-6-11-18)28(24)17-8-3-1-4-9-17/h1-15H,16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance ...				J Med Chem 62: 8028-8052 (2019) Article DOI: 10.1021/acs.jmedchem.9b00723 BindingDB Entry DOI: 10.7270/Q20R9SSF
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM333453 (US9737525, Compound MIND4) Show SMILES [O-][N+](=O)c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)c2ncccc12 Show InChI InChI=1S/C24H17N5O3S/c30-29(31)20-13-14-21(23-19(20)12-7-15-25-23)33-24-27-26-22(16-32-18-10-5-2-6-11-18)28(24)17-8-3-1-4-9-17/h1-15H,16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.28E+4	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to KEAP1 (unknown origin) expressed in baculovirus expression system by surface plasmon resonance analysis				J Med Chem 62: 8028-8052 (2019) Article DOI: 10.1021/acs.jmedchem.9b00723 BindingDB Entry DOI: 10.7270/Q20R9SSF
					More data for this Ligand-Target Pair