Compile Data Set for Download or QSAR

Found 325 hits with Last Name = 'siegel' and Initial = 'tw'   

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 (Homo sapiens (Human))	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50009832 (1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...) Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3	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	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity was measured against rat lens aldose reductase in the presence of 1 uM compound with D-glucose as substrates				J Med Chem 34: 1011-8 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2NK3FMZ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50009832 (1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...) Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3	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	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity was measured against rat lens aldose reductase in the presence of 1 uM compound with D-glucose as substrates				J Med Chem 34: 1011-8 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2NK3FMZ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Sus scrofa)	BDBM50009832 (1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-...) Show SMILES CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O Show InChI InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity was measured against rat lens aldose reductase in the presence of 1 uM compound with D-glucose as substrates				J Med Chem 34: 1011-8 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2NK3FMZ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50009806 (CHEMBL20207 | [3-(7-Chloro-benzothiazol-2-ylmethyl...) Show SMILES OC(=O)Cc1nn(Cc2nc3cccc(Cl)c3s2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H12ClN3O3S/c19-12-6-3-7-13-17(12)26-15(20-13)9-22-18(25)11-5-2-1-4-10(11)14(21-22)8-16(23)24/h1-7H,8-9H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Compound was tested for the rate of reduction of glyceraldehyde by human placental aldose reductase.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Compound was tested for the inhibition of the human placental aldose reductase using the substrate as glyceraldehyde.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50009763 (CHEMBL20024 | [3-(4-Fluoro-benzothiazol-2-ylmethyl...) Show SMILES OC(=O)Cc1nn(Cc2nc3c(F)cccc3s2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H12FN3O3S/c19-12-6-3-7-14-17(12)20-15(26-14)9-22-18(25)11-5-2-1-4-10(11)13(21-22)8-16(23)24/h1-7H,8-9H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50006469 (CHEMBL69956 | [8-Oxo-7-(5-trifluoromethyl-benzothi...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ncccc12 Show InChI InChI=1S/C18H11F3N4O3S/c19-18(20,21)9-3-4-13-12(6-9)23-14(29-13)8-25-17(28)16-10(2-1-5-22-16)11(24-25)7-15(26)27/h1-6H,7-8H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibitory activity against aldose reductase isolated from human placenta				J Med Chem 35: 2155-62 (1992) BindingDB Entry DOI: 10.7270/Q2KK99RR
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50105466 ((S)-6-Amino-2-[(R)-2-[(4-benzenesulfonyl-piperazin...) Show SMILES CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H44N6O6S/c1-32(2,3)44-30(40)27(15-9-10-16-33)35-29(39)28(21-23-22-34-26-14-8-7-13-25(23)26)36-31(41)37-17-19-38(20-18-37)45(42,43)24-11-5-4-6-12-24/h4-8,11-14,22,27-28,34H,9-10,15-21,33H2,1-3H3,(H,35,39)(H,36,41)/t27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibitory concentration of the compound towards binding of sst2 receptor using [125I]-somatostatin as radioligand in Neuro2A cells				Bioorg Med Chem Lett 11: 2731-4 (2001) BindingDB Entry DOI: 10.7270/Q2JW8D5S
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)	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	PDB PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrate				J Med Chem 34: 1011-8 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2NK3FMZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Compound was tested for the inhibition of the rat lens aldose reductase using the substrate as glucose.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase isolated from human placenta				J Med Chem 35: 457-65 (1992) BindingDB Entry DOI: 10.7270/Q28051K1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50009781 (CHEMBL20169 | [3-(5-Bromo-benzothiazol-2-ylmethyl)...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Br)ccc3s2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H12BrN3O3S/c19-10-5-6-15-14(7-10)20-16(26-15)9-22-18(25)12-4-2-1-3-11(12)13(21-22)8-17(23)24/h1-7H,8-9H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50105472 ((S)-6-Amino-2-[(R)-2-[(1-benzenesulfonyl-piperidin...) Show SMILES CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C33H45N5O6S/c1-33(2,3)44-32(41)28(15-9-10-18-34)36-31(40)29(21-24-22-35-27-14-8-7-13-26(24)27)37-30(39)23-16-19-38(20-17-23)45(42,43)25-11-5-4-6-12-25/h4-8,11-14,22-23,28-29,35H,9-10,15-21,34H2,1-3H3,(H,36,40)(H,37,39)/t28-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibitory concentration of the compound towards binding of sst2 receptor using [125I]-somatostatin as radioligand in Neuro2A cells				Bioorg Med Chem Lett 11: 2731-4 (2001) BindingDB Entry DOI: 10.7270/Q2JW8D5S
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50008471 (CHEMBL143234 | [3-(5,7-Difluoro-benzooxazol-2-ylme...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3o2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H11F2N3O4/c19-9-5-12(20)17-14(6-9)21-15(27-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase isolated from human placenta				J Med Chem 35: 457-65 (1992) BindingDB Entry DOI: 10.7270/Q28051K1
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50006475 (CHEMBL71966 | {1-[3-(2,3-Difluoro-phenyl)-[1,2,4]o...) Show SMILES Cc1c(C)c(=O)n(Cc2nc(no2)-c2cccc(F)c2F)nc1CC(O)=O Show InChI InChI=1S/C17H14F2N4O4/c1-8-9(2)17(26)23(21-12(8)6-14(24)25)7-13-20-16(22-27-13)10-4-3-5-11(18)15(10)19/h3-5H,6-7H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibitory activity against aldose reductase isolated from human placenta				J Med Chem 35: 2155-62 (1992) BindingDB Entry DOI: 10.7270/Q2KK99RR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50009828 (CHEMBL20015 | [3-(4-Chloro-benzothiazol-2-ylmethyl...) Show SMILES OC(=O)Cc1nn(Cc2nc3c(Cl)cccc3s2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H12ClN3O3S/c19-12-6-3-7-14-17(12)20-15(26-14)9-22-18(25)11-5-2-1-4-10(11)13(21-22)8-16(23)24/h1-7H,8-9H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50009784 (CHEMBL278991 | [3-(5,7-Dichloro-benzothiazol-2-ylm...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Cl)cc(Cl)c3s2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H11Cl2N3O3S/c19-9-5-12(20)17-14(6-9)21-15(27-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50006459 (CHEMBL304995 | [3-(5,7-Difluoro-benzothiazol-2-ylm...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2CCCCc12 Show InChI InChI=1S/C18H15F2N3O3S/c19-9-5-12(20)17-14(6-9)21-15(27-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h5-6H,1-4,7-8H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibitory activity against aldose reductase isolated from human placenta				J Med Chem 35: 2155-62 (1992) BindingDB Entry DOI: 10.7270/Q2KK99RR
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50105465 ((4R,8S,11S,17S)-8-(4-Amino-butyl)-17-(2-amino-3-na...) Show SMILES CC(C)(C)C1N[C@@H](CSSC[C@@H](NC(=O)C(N)Cc2cccc(F)c2)C(=O)NC(Cc2cccnc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C1=O)C(=O)NC(Cc1cccc2ccccc12)C(N)=O Show InChI InChI=1S/C58H70FN11O7S2/c1-58(2,3)51-50(71)44(22-8-9-23-60)66-55(75)47(29-38-31-64-43-21-7-6-20-41(38)43)69-54(74)46(27-35-14-12-24-63-30-35)68-57(77)49(70-53(73)42(61)26-34-13-10-18-39(59)25-34)33-79-78-32-48(65-51)56(76)67-45(52(62)72)28-37-17-11-16-36-15-4-5-19-40(36)37/h4-7,10-21,24-25,30-31,42,44-49,51,64-65H,8-9,22-23,26-29,32-33,60-61H2,1-3H3,(H2,62,72)(H,66,75)(H,67,76)(H,68,77)(H,69,74)(H,70,73)/t42?,44-,45?,46?,47-,48-,49+,51?/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibitory concentration of the compound towards binding of sst2 receptor using [125I]-somatostatin as radioligand in Neuro2A cells				Bioorg Med Chem Lett 11: 2731-4 (2001) BindingDB Entry DOI: 10.7270/Q2JW8D5S
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50105470 ((S)-6-Amino-2-((R)-3-(1H-indol-3-yl)-2-{[4-(4-meth...) Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C Show InChI InChI=1S/C34H46N6O5/c1-23-12-14-24(15-13-23)31(42)39-17-19-40(20-18-39)33(44)38-29(21-25-22-36-27-10-6-5-9-26(25)27)30(41)37-28(11-7-8-16-35)32(43)45-34(2,3)4/h5-6,9-10,12-15,22,28-29,36H,7-8,11,16-21,35H2,1-4H3,(H,37,41)(H,38,44)/t28-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibitory concentration of the compound towards binding of sst2 receptor using [125I]-somatostatin as radioligand in Neuro2A cells				Bioorg Med Chem Lett 11: 2731-4 (2001) BindingDB Entry DOI: 10.7270/Q2JW8D5S
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50006470 (CHEMBL73505 | [5-Chloro-1-(5-fluoro-benzothiazol-2...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)ccc3s2)c2ccc(Cl)cc12 Show InChI InChI=1S/C17H11ClFN3O2S/c18-9-1-3-14-11(5-9)12(7-17(23)24)21-22(14)8-16-20-13-6-10(19)2-4-15(13)25-16/h1-6H,7-8H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibitory activity against aldose reductase isolated from human placenta				J Med Chem 35: 2155-62 (1992) BindingDB Entry DOI: 10.7270/Q2KK99RR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibitory activity against aldose reductase isolated from human placenta				J Med Chem 35: 2155-62 (1992) BindingDB Entry DOI: 10.7270/Q2KK99RR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50009750 (CHEMBL282689 | [3-(4,7-Difluoro-benzothiazol-2-ylm...) Show SMILES OC(=O)Cc1nn(Cc2nc3c(F)ccc(F)c3s2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H11F2N3O3S/c19-11-5-6-12(20)17-16(11)21-14(27-17)8-23-18(26)10-4-2-1-3-9(10)13(22-23)7-15(24)25/h1-6H,7-8H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50009759 (CHEMBL20518 | [3-(5-Chloro-7-fluoro-benzothiazol-2...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Cl)cc(F)c3s2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H11ClFN3O3S/c19-9-5-12(20)17-14(6-9)21-15(27-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50006481 (CHEMBL73560 | [1-(5,7-Difluoro-benzothiazol-2-ylme...) Show SMILES Cc1c(CC(O)=O)nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c1C Show InChI InChI=1S/C16H13F2N3O3S/c1-7-8(2)16(24)21(20-11(7)5-14(22)23)6-13-19-12-4-9(17)3-10(18)15(12)25-13/h3-4H,5-6H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibitory activity against aldose reductase isolated from human placenta				J Med Chem 35: 2155-62 (1992) BindingDB Entry DOI: 10.7270/Q2KK99RR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50006471 (CHEMBL68580 | [4-Oxo-3-(5-trifluoromethyl-benzothi...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2CCCCc12 Show InChI InChI=1S/C19H16F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h5-7H,1-4,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibitory activity against aldose reductase isolated from human placenta				J Med Chem 35: 2155-62 (1992) BindingDB Entry DOI: 10.7270/Q2KK99RR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50009774 (CHEMBL20161 | [3-(5,7-Dimethyl-benzothiazol-2-ylme...) Show SMILES Cc1cc(C)c2sc(Cn3nc(CC(O)=O)c4ccccc4c3=O)nc2c1 Show InChI InChI=1S/C20H17N3O3S/c1-11-7-12(2)19-16(8-11)21-17(27-19)10-23-20(26)14-6-4-3-5-13(14)15(22-23)9-18(24)25/h3-8H,9-10H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50009749 (CHEMBL416001 | [3-(7-Chloro-5-fluoro-benzothiazol-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)cc(Cl)c3s2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H11ClFN3O3S/c19-12-5-9(20)6-14-17(12)27-15(21-14)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50009757 (CHEMBL20637 | [3-(5,7-Difluoro-benzothiazol-2-ylme...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H11F2N3O3S/c19-9-5-12(20)17-14(6-9)21-15(27-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50008441 (CHEMBL422647 | [4-Oxo-3-(3-o-tolyl-[1,2,4]oxadiazo...) Show SMILES Cc1ccccc1-c1noc(Cn2nc(CC(O)=O)c3ccccc3c2=O)n1 Show InChI InChI=1S/C20H16N4O4/c1-12-6-2-3-7-13(12)19-21-17(28-23-19)11-24-20(27)15-9-5-4-8-14(15)16(22-24)10-18(25)26/h2-9H,10-11H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase isolated from human placenta				J Med Chem 35: 457-65 (1992) BindingDB Entry DOI: 10.7270/Q28051K1
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50105469 ((S)-6-Amino-2-((R)-3-(1H-indol-3-yl)-2-{[4-(2-oxo-...) Show SMILES CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C34H45N7O5/c1-34(2,3)46-31(43)27(13-8-9-17-35)37-30(42)28(20-22-21-36-25-11-5-4-10-24(22)25)39-32(44)40-18-15-23(16-19-40)41-29-14-7-6-12-26(29)38-33(41)45/h4-7,10-12,14,21,23,27-28,36H,8-9,13,15-20,35H2,1-3H3,(H,37,42)(H,38,45)(H,39,44)/t27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Antagonistic activity of the compound towards sst2 receptor in GH4C1 cells a concentration of 1-2 x 10e6/mL incubated for 20 minutes				Bioorg Med Chem Lett 11: 2731-4 (2001) BindingDB Entry DOI: 10.7270/Q2JW8D5S
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50105469 ((S)-6-Amino-2-((R)-3-(1H-indol-3-yl)-2-{[4-(2-oxo-...) Show SMILES CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C34H45N7O5/c1-34(2,3)46-31(43)27(13-8-9-17-35)37-30(42)28(20-22-21-36-25-11-5-4-10-24(22)25)39-32(44)40-18-15-23(16-19-40)41-29-14-7-6-12-26(29)38-33(41)45/h4-7,10-12,14,21,23,27-28,36H,8-9,13,15-20,35H2,1-3H3,(H,37,42)(H,38,45)(H,39,44)/t27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Antagonistic activity of the compound towards sst2 receptor in GH4C1 cells a concentration of 1-2 x 10e6/mL incubated for 20 minutes				Bioorg Med Chem Lett 11: 2731-4 (2001) BindingDB Entry DOI: 10.7270/Q2JW8D5S
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50008480 (CHEMBL341864 | {3-[3-(2-Bromo-phenyl)-[1,2,4]oxadi...) Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2ccccc2Br)c(=O)c2ccccc12 Show InChI InChI=1S/C19H13BrN4O4/c20-14-8-4-3-7-13(14)18-21-16(28-23-18)10-24-19(27)12-6-2-1-5-11(12)15(22-24)9-17(25)26/h1-8H,9-10H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase isolated from human placenta				J Med Chem 35: 457-65 (1992) BindingDB Entry DOI: 10.7270/Q28051K1
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50105468 ((S)-6-Amino-2-[(R)-2-[(4-benzoyl-piperazine-1-carb...) Show SMILES CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C33H44N6O5/c1-33(2,3)44-31(42)27(15-9-10-16-34)36-29(40)28(21-24-22-35-26-14-8-7-13-25(24)26)37-32(43)39-19-17-38(18-20-39)30(41)23-11-5-4-6-12-23/h4-8,11-14,22,27-28,35H,9-10,15-21,34H2,1-3H3,(H,36,40)(H,37,43)/t27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibitory concentration of the compound towards binding of sst2 receptor using [125I]-somatostatin as radioligand in Neuro2A cells				Bioorg Med Chem Lett 11: 2731-4 (2001) BindingDB Entry DOI: 10.7270/Q2JW8D5S
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50009804 (CHEMBL283996 | [3-(5-Fluoro-benzothiazol-2-ylmethy...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)ccc3s2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H12FN3O3S/c19-10-5-6-15-14(7-10)20-16(26-15)9-22-18(25)12-4-2-1-3-11(12)13(21-22)8-17(23)24/h1-7H,8-9H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50105468 ((S)-6-Amino-2-[(R)-2-[(4-benzoyl-piperazine-1-carb...) Show SMILES CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C33H44N6O5/c1-33(2,3)44-31(42)27(15-9-10-16-34)36-29(40)28(21-24-22-35-26-14-8-7-13-25(24)26)37-32(43)39-19-17-38(18-20-39)30(41)23-11-5-4-6-12-23/h4-8,11-14,22,27-28,35H,9-10,15-21,34H2,1-3H3,(H,36,40)(H,37,43)/t27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibitory concentration of the compound towards binding of sst2 receptor using [125I]-somatostatin as radioligand in Neuro2A cells				Bioorg Med Chem Lett 11: 2731-4 (2001) BindingDB Entry DOI: 10.7270/Q2JW8D5S
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50009829 (CHEMBL20197 | [3-(5-Chloro-benzothiazol-2-ylmethyl...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(Cl)ccc3s2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H12ClN3O3S/c19-10-5-6-15-14(7-10)20-16(26-15)9-22-18(25)12-4-2-1-3-11(12)13(21-22)8-17(23)24/h1-7H,8-9H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50105471 ((S)-6-Amino-2-((R)-3-(1H-indol-3-yl)-2-{[4-(toluen...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C Show InChI InChI=1S/C33H46N6O6S/c1-23-12-14-25(15-13-23)46(43,44)39-19-17-38(18-20-39)32(42)37-29(21-24-22-35-27-10-6-5-9-26(24)27)30(40)36-28(11-7-8-16-34)31(41)45-33(2,3)4/h5-6,9-10,12-15,22,28-29,35H,7-8,11,16-21,34H2,1-4H3,(H,36,40)(H,37,42)/t28-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibitory concentration of the compound towards binding of sst2 receptor using [125I]-somatostatin as radioligand in Neuro2A cells				Bioorg Med Chem Lett 11: 2731-4 (2001) BindingDB Entry DOI: 10.7270/Q2JW8D5S
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50009814 (CHEMBL20220 | [4-Oxo-3-(7-trifluoromethyl-benzothi...) Show SMILES OC(=O)Cc1nn(Cc2nc3cccc(c3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)12-6-3-7-13-17(12)29-15(23-13)9-25-18(28)11-5-2-1-4-10(11)14(24-25)8-16(26)27/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50229580 (CHEMBL66920) Show SMILES OC(=O)Cc1ccc(=O)n(Cc2nc3cc(F)cc(F)c3s2)n1 Show InChI InChI=1S/C14H9F2N3O3S/c15-7-3-9(16)14-10(4-7)17-11(23-14)6-19-12(20)2-1-8(18-19)5-13(21)22/h1-4H,5-6H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibitory activity against aldose reductase isolated from human placenta				J Med Chem 35: 2155-62 (1992) BindingDB Entry DOI: 10.7270/Q2KK99RR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50230363 (CHEMBL422476) Show SMILES OC(=O)Cc1nn(Cc2nc(no2)-c2ccccc2F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H13FN4O4/c20-14-8-4-3-7-13(14)18-21-16(28-23-18)10-24-19(27)12-6-2-1-5-11(12)15(22-24)9-17(25)26/h1-8H,9-10H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase isolated from human placenta				J Med Chem 35: 457-65 (1992) BindingDB Entry DOI: 10.7270/Q28051K1
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50229581 (CHEMBL69591) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)ccc3s2)c(=O)c2cccnc12 Show InChI InChI=1S/C17H11FN4O3S/c18-9-3-4-13-11(6-9)20-14(26-13)8-22-17(25)10-2-1-5-19-16(10)12(21-22)7-15(23)24/h1-6H,7-8H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibitory activity against aldose reductase isolated from human placenta				J Med Chem 35: 2155-62 (1992) BindingDB Entry DOI: 10.7270/Q2KK99RR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50009783 ((3-Benzothiazol-2-ylmethyl-6,7-dichloro-4-oxo-3,4-...) Show SMILES OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(Cl)c(Cl)cc12 Show InChI InChI=1S/C18H11Cl2N3O3S/c19-11-5-9-10(6-12(11)20)18(26)23(22-14(9)7-17(24)25)8-16-21-13-3-1-2-4-15(13)27-16/h1-6H,7-8H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50009810 (CHEMBL422927 | [3-(4,5-Difluoro-benzothiazol-2-ylm...) Show SMILES OC(=O)Cc1nn(Cc2nc3c(F)c(F)ccc3s2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H11F2N3O3S/c19-11-5-6-13-17(16(11)20)21-14(27-13)8-23-18(26)10-4-2-1-3-9(10)12(22-23)7-15(24)25/h1-6H,7-8H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50009769 ((4-Oxo-3-thiazolo[5,4-b]pyridin-2-ylmethyl-3,4-dih...) Show SMILES OC(=O)Cc1nn(Cc2nc3cccnc3s2)c(=O)c2ccccc12 Show InChI InChI=1S/C17H12N4O3S/c22-15(23)8-13-10-4-1-2-5-11(10)17(24)21(20-13)9-14-19-12-6-3-7-18-16(12)25-14/h1-7H,8-9H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	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	PDB PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Compound was tested for the inhibition of the human placental aldose reductase using the substrate as glyceraldehyde.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50009776 ((3-Benzothiazol-2-ylmethyl-7-bromo-4-oxo-3,4-dihyd...) Show SMILES OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccc(Br)cc12 Show InChI InChI=1S/C18H12BrN3O3S/c19-10-5-6-11-12(7-10)14(8-17(23)24)21-22(18(11)25)9-16-20-13-3-1-2-4-15(13)26-16/h1-7H,8-9H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50009775 ((3-Benzothiazol-2-ylmethyl-4-oxo-6-trifluoromethyl...) Show SMILES OC(=O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(ccc12)C(F)(F)F Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-11-12(7-10)18(28)25(24-14(11)8-17(26)27)9-16-23-13-3-1-2-4-15(13)29-16/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair

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