BindingDB PrimarySearch

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50047646
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50180851 (CHEMBL3818085 \| US10144731, Example 54) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of 5'-TAMRA-NRF2 peptide from human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infe...				J Med Chem 59: 3991-4006 (2016) Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT
Astex Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50180850 (CHEMBL3819587) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of OATP1B1 (unknown origin)				J Med Chem 59: 3991-4006 (2016) Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT
Astex Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50180852 (CHEMBL3819169 \| US10144731, Example 136) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of 5'-TAMRA-NRF2 peptide from human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infe...				J Med Chem 59: 3991-4006 (2016) Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT
Astex Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile salt export pump (Homo sapiens (Human))	BDBM50180850 (CHEMBL3819587) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of BSEP (unknown origin)				J Med Chem 59: 3991-4006 (2016) Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT
Astex Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM50180850 (CHEMBL3819587) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of PDE3A (unknown origin)				J Med Chem 59: 3991-4006 (2016) Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT
Astex Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50180853 (CHEMBL3819386) Show SMILES Cn1nnc2cc(ccc12)C(CC(O)=O)c1ccc(Cl)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of 5'-TAMRA-NRF2 peptide from human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infe...				J Med Chem 59: 3991-4006 (2016) Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT
Astex Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50180854 (CHEMBL3819037) Show SMILES OC(=O)CCc1ccc(Cl)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of 5'-TAMRA-NRF2 peptide from human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infe...				J Med Chem 59: 3991-4006 (2016) Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT
Astex Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50180850 (CHEMBL3819587) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of KEAP1/NRF2 interaction in human BEAS2B cells assessed as induction of NQO1 specific activity incubated for 48 hrs measured on day 4 pos...				J Med Chem 59: 3991-4006 (2016) Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT
Astex Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50180850 (CHEMBL3819587) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infected sf9 cells by isoth...				J Med Chem 59: 3991-4006 (2016) Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT
Astex Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50180851 (CHEMBL3818085 \| US10144731, Example 54) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infected sf9 cells by isoth...				J Med Chem 59: 3991-4006 (2016) Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT
Astex Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50180850 (CHEMBL3819587) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of GCLM mRNA expression incubated fo...				J Med Chem 59: 3991-4006 (2016) Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT
Astex Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50180853 (CHEMBL3819386) Show SMILES Cn1nnc2cc(ccc12)C(CC(O)=O)c1ccc(Cl)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infected sf9 cells by isoth...				J Med Chem 59: 3991-4006 (2016) Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT
Astex Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50180850 (CHEMBL3819587) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of HO-1 mRNA expression incubated fo...				J Med Chem 59: 3991-4006 (2016) Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT
Astex Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50180850 (CHEMBL3819587) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of TXNRD1 mRNA expression incubated ...				J Med Chem 59: 3991-4006 (2016) Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT
Astex Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50180850 (CHEMBL3819587) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of NQO1 mRNA expression incubated fo...				J Med Chem 59: 3991-4006 (2016) Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT
Astex Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50180852 (CHEMBL3819169 \| US10144731, Example 136) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infected sf9 cells by isoth...				J Med Chem 59: 3991-4006 (2016) Article DOI: 10.1021/acs.jmedchem.6b00228 BindingDB Entry DOI: 10.7270/Q25T3NDT
Astex Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)