Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'stein' and Initial = 'jl'   

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
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1 Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	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 InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022247 ((4-Methyl-6-nitro-2-oxo-2H-quinolin-1-yl)-acetic a...) Show SMILES Cc1cc(=O)n(CC(O)=O)c2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C12H10N2O5/c1-7-4-11(15)13(6-12(16)17)10-3-2-8(14(18)19)5-9(7)10/h2-5H,6H2,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022249 ((6-Methoxy-2-oxo-2H-quinolin-1-yl)-acetic acid | C...) Show SMILES COc1ccc2n(CC(O)=O)c(=O)ccc2c1 Show InChI InChI=1S/C12H11NO4/c1-17-9-3-4-10-8(6-9)2-5-11(14)13(10)7-12(15)16/h2-6H,7H2,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) Show SMILES OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022252 ((6-Hydroxy-2-oxo-2H-quinolin-1-yl)-acetic acid | C...) Show SMILES OC(=O)Cn1c2ccc(O)cc2ccc1=O Show InChI InChI=1S/C11H9NO4/c13-8-2-3-9-7(5-8)1-4-10(14)12(9)6-11(15)16/h1-5,13H,6H2,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022245 ((8-Hydroxy-2-oxo-2H-quinolin-1-yl)-acetic acid | C...) Show SMILES OC(=O)Cn1c2c(O)cccc2ccc1=O Show InChI InChI=1S/C11H9NO4/c13-8-3-1-2-7-4-5-9(14)12(11(7)8)6-10(15)16/h1-5,13H,6H2,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022246 ((4-Methyl-2-oxo-2H-quinolin-1-yl)-acetic acid | CH...) Show SMILES Cc1cc(=O)n(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C12H11NO3/c1-8-6-11(14)13(7-12(15)16)10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022186 (1-naphthaleneacetic acid | 1-naphthylacetic acid |...) Show SMILES OC(=O)Cc1cccc2ccccc12 Show InChI InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022250 (2-(8-Hydroxy-2-oxo-2H-quinolin-1-yl)-propionic aci...) Show SMILES CC(C(O)=O)n1c2c(O)cccc2ccc1=O Show InChI InChI=1S/C12H11NO4/c1-7(12(16)17)13-10(15)6-5-8-3-2-4-9(14)11(8)13/h2-7,14H,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022251 (3-(4-Methyl-2-oxo-2H-quinolin-1-yl)-propionic acid...) Show SMILES Cc1cc(=O)n(CCC(O)=O)c2ccccc12 Show InChI InChI=1S/C13H13NO3/c1-9-8-12(15)14(7-6-13(16)17)11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022248 (2-(4-Methyl-2-oxo-2H-quinolin-1-yl)-propionic acid...) Show SMILES CC(C(O)=O)n1c2ccccc2c(C)cc1=O Show InChI InChI=1S/C13H13NO3/c1-8-7-12(15)14(9(2)13(16)17)11-6-4-3-5-10(8)11/h3-7,9H,1-2H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022244 (2-(6-Methoxy-2-oxo-2H-quinolin-1-yl)-propionic aci...) Show SMILES COc1ccc2n(C(C)C(O)=O)c(=O)ccc2c1 Show InChI InChI=1S/C13H13NO4/c1-8(13(16)17)14-11-5-4-10(18-2)7-9(11)3-6-12(14)15/h3-8H,1-2H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair