Affinity Data by PDB ID

PDB code 3NTY

Identical Ligands in BindingDB

Found 9 hits Enzyme Inhibition Constant Data
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 (323/323 = 100%)^† (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 (323/323 = 100%)^† (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	0.860	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 Inhibition of human wild type AKR1C1 dehydrogenase activity by fluorometric assay				Eur J Med Chem 45: 5309-17 (2010) Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C1 (323/323 = 100%)^† (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 (323/323 = 100%)^† (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 (323/323 = 100%)^† (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 (323/323 = 100%)^† (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 C2 (316/323 = 98%)^† (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	21	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 Inhibition of human AKR1C2 dehydrogenase activity by fluorometric assay				Eur J Med Chem 45: 5309-17 (2010) Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C1 (323/323 = 100%)^† (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)
Aldo-keto reductase family 1 member C1 (323/323 = 100%)^† (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	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human AKR1C1-mediated progesterone metabolism expressed in bovine aortic endothelial cells assessed as formation of 20alpha-hydroxyprog...				Eur J Med Chem 45: 5309-17 (2010) Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output