Affinity Data by PubMed id=15456251

PubMed code 15456251

Found 8 hits of 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 B1 (Sus scrofa)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of aldose reductase from pig lenses				J Med Chem 47: 5076-84 (2004) Article DOI: 10.1021/jm049756p BindingDB Entry DOI: 10.7270/Q2NC620D
University of California-San Francisco Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM16312 ((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...) Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of aldose reductase from pig lenses				J Med Chem 47: 5076-84 (2004) Article DOI: 10.1021/jm049756p BindingDB Entry DOI: 10.7270/Q2NC620D
University of California-San Francisco Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50154219 (1-(4-Chloro-benzyl)-5-oxo-pyrrolidine-3-carboxylic...) Show SMILES OC(=O)C1CN(Cc2ccc(Cl)cc2)C(=O)C1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of aldose reductase from pig lenses				J Med Chem 47: 5076-84 (2004) Article DOI: 10.1021/jm049756p BindingDB Entry DOI: 10.7270/Q2NC620D
University of California-San Francisco Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50154216 (CHEMBL186124 \| [1-(3-Chloro-benzyl)-1H-indol-3-yl]...) Show SMILES OC(=O)Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of aldose reductase from pig lenses				J Med Chem 47: 5076-84 (2004) Article DOI: 10.1021/jm049756p BindingDB Entry DOI: 10.7270/Q2NC620D
University of California-San Francisco Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50154218 (1-(3-Bromo-phenyl)-5-phenyl-1H-[1,2,3]triazole-4-c...) Show SMILES OC(=O)c1nnn(c1-c1ccccc1)-c1cccc(Br)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.74E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of aldose reductase from pig lenses				J Med Chem 47: 5076-84 (2004) Article DOI: 10.1021/jm049756p BindingDB Entry DOI: 10.7270/Q2NC620D
University of California-San Francisco Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50154220 (3-Benzyloxy-2-benzyloxycarbonylamino-butyric acid ...) Show SMILES CC(OCc1ccccc1)C(NC(=O)OCc1ccccc1)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of aldose reductase from pig lenses; no inhibition				J Med Chem 47: 5076-84 (2004) Article DOI: 10.1021/jm049756p BindingDB Entry DOI: 10.7270/Q2NC620D
University of California-San Francisco Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50154215 (Bis-(4-chloro-benzyl)-(1H-tetrazol-5-yl)-amine \| C...) Show SMILES Clc1ccc(CN(Cc2ccc(Cl)cc2)c2nnn[nH]2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of aldose reductase from pig lenses				J Med Chem 47: 5076-84 (2004) Article DOI: 10.1021/jm049756p BindingDB Entry DOI: 10.7270/Q2NC620D
University of California-San Francisco Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50154217 (3-(4-Chloro-benzyloxy)-2-(3,3-dimethyl-butyrylamin...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of aldose reductase from pig lenses; no inhibition				J Med Chem 47: 5076-84 (2004) Article DOI: 10.1021/jm049756p BindingDB Entry DOI: 10.7270/Q2NC620D
University of California-San Francisco Curated by ChEMBL					More data for this Ligand-Target Pair

* indicates data uncertainty>20%