BindingDB PrimarySearch

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50004514
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
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50330427 (5-Chloro-4-hydroxybiphenyl-3-carboxylic acid \| CHE...) Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant AKR1C1 Phe311Leu mutant by fluorescence assay				Bioorg Med Chem Lett 21: 2564-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.076 BindingDB Entry DOI: 10.7270/Q20G3NZ0
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50330427 (5-Chloro-4-hydroxybiphenyl-3-carboxylic acid \| CHE...) Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant AKR1C1 Leu308Ala mutant by fluorescence assay				Bioorg Med Chem Lett 21: 2564-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.076 BindingDB Entry DOI: 10.7270/Q20G3NZ0
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50330427 (5-Chloro-4-hydroxybiphenyl-3-carboxylic acid \| CHE...) Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant AKR1C1 Phe311Ala mutant by fluorescence assay				Bioorg Med Chem Lett 21: 2564-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.076 BindingDB Entry DOI: 10.7270/Q20G3NZ0
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50330427 (5-Chloro-4-hydroxybiphenyl-3-carboxylic acid \| CHE...) Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant AKR1C1 Leu308Val mutant by fluorescence assay				Bioorg Med Chem Lett 21: 2564-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.076 BindingDB Entry DOI: 10.7270/Q20G3NZ0
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50330427 (5-Chloro-4-hydroxybiphenyl-3-carboxylic acid \| CHE...) Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant AKR1C1 Leu54Val mutant by fluorescence assay				Bioorg Med Chem Lett 21: 2564-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.076 BindingDB Entry DOI: 10.7270/Q20G3NZ0
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid \| 3,5-dichloros...) Show SMILES OC(=O)c1cc(Cl)cc(Cl)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant AKR1C1 Phe311Ala mutant by fluorescence assay				Bioorg Med Chem Lett 21: 2564-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.076 BindingDB Entry DOI: 10.7270/Q20G3NZ0
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid \| 3,5-dichloros...) Show SMILES OC(=O)c1cc(Cl)cc(Cl)c1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant AKR1C1 Phe311Leu mutant by fluorescence assay				Bioorg Med Chem Lett 21: 2564-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.076 BindingDB Entry DOI: 10.7270/Q20G3NZ0
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50330427 (5-Chloro-4-hydroxybiphenyl-3-carboxylic acid \| CHE...) Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant AKR1C1 Leu306Ala mutant by fluorescence assay				Bioorg Med Chem Lett 21: 2564-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.076 BindingDB Entry DOI: 10.7270/Q20G3NZ0
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)