Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'borne' and Initial = 'rf'   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50474703 (CHEMBL1269) Show SMILES Fc1ccc(cc1)C(=O)CCC[n+]1ccc(cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H18ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-12,14-15H,1-2,13H2/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D2				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474703 (CHEMBL1269) Show SMILES Fc1ccc(cc1)C(=O)CCC[n+]1ccc(cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H18ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-12,14-15H,1-2,13H2/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50474703 (CHEMBL1269) Show SMILES Fc1ccc(cc1)C(=O)CCC[n+]1ccc(cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H18ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-12,14-15H,1-2,13H2/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D4				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50474702 (CHEMBL358190) Show SMILES OCCC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-5-18(6-8-19)22(12-15-26)11-14-25(16-22)13-1-2-21(27)17-3-9-20(24)10-4-17/h3-10,26H,1-2,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D4				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50474706 (CHEMBL148626) Show SMILES CN(CCCC(O)c1ccc(Cl)cc1)CCCC(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c1-24(14-2-4-20(25)16-6-10-18(22)11-7-16)15-3-5-21(26)17-8-12-19(23)13-9-17/h6-13,20,25H,2-5,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D4				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474708 (CHEMBL149877) Show SMILES OCC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(15-25)11-13-24(14-21)12-1-2-20(26)16-3-9-19(23)10-4-16/h3-10,25H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474706 (CHEMBL148626) Show SMILES CN(CCCC(O)c1ccc(Cl)cc1)CCCC(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c1-24(14-2-4-20(25)16-6-10-18(22)11-7-16)15-3-5-21(26)17-8-12-19(23)13-9-17/h6-13,20,25H,2-5,14-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	6.87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D2				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50474705 (CHEMBL357956) Show SMILES OC(C1CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-3-17(4-8-19)22(27)18-11-14-25(15-12-18)13-1-2-21(26)16-5-9-20(24)10-6-16/h3-10,18,22,27H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D4				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474700 (CHEMBL149721) Show SMILES OCC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-5-18(6-8-19)22(16-26)11-14-25(15-12-22)13-1-2-21(27)17-3-9-20(24)10-4-17/h3-10,26H,1-2,11-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50474700 (CHEMBL149721) Show SMILES OCC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-5-18(6-8-19)22(16-26)11-14-25(15-12-22)13-1-2-21(27)17-3-9-20(24)10-4-17/h3-10,26H,1-2,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D4				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474705 (CHEMBL357956) Show SMILES OC(C1CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-3-17(4-8-19)22(27)18-11-14-25(15-12-18)13-1-2-21(26)16-5-9-20(24)10-6-16/h3-10,18,22,27H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50474709 (CHEMBL147829) Show SMILES OC1(Cc2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-3-17(4-8-19)16-22(27)11-14-25(15-12-22)13-1-2-21(26)18-5-9-20(24)10-6-18/h3-10,27H,1-2,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D4				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	7.27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D4				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474701 (CHEMBL147830) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-10,17H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50474708 (CHEMBL149877) Show SMILES OCC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(15-25)11-13-24(14-21)12-1-2-20(26)16-3-9-19(23)10-4-16/h3-10,25H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D2				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D2				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474702 (CHEMBL358190) Show SMILES OCCC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-5-18(6-8-19)22(12-15-26)11-14-25(16-22)13-1-2-21(27)17-3-9-20(24)10-4-17/h3-10,26H,1-2,11-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50474706 (CHEMBL148626) Show SMILES CN(CCCC(O)c1ccc(Cl)cc1)CCCC(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c1-24(14-2-4-20(25)16-6-10-18(22)11-7-16)15-3-5-21(26)17-8-12-19(23)13-9-17/h6-13,20,25H,2-5,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D2				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50474701 (CHEMBL147830) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-10,17H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D4				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50474705 (CHEMBL357956) Show SMILES OC(C1CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-3-17(4-8-19)22(27)18-11-14-25(15-12-18)13-1-2-21(26)16-5-9-20(24)10-6-16/h3-10,18,22,27H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D2				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50474708 (CHEMBL149877) Show SMILES OCC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(15-25)11-13-24(14-21)12-1-2-20(26)16-3-9-19(23)10-4-16/h3-10,25H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D4				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50474702 (CHEMBL358190) Show SMILES OCCC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-5-18(6-8-19)22(12-15-26)11-14-25(16-22)13-1-2-21(27)17-3-9-20(24)10-4-17/h3-10,26H,1-2,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D2				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50474700 (CHEMBL149721) Show SMILES OCC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-5-18(6-8-19)22(16-26)11-14-25(15-12-22)13-1-2-21(27)17-3-9-20(24)10-4-17/h3-10,26H,1-2,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D2				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50474701 (CHEMBL147830) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-10,17H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D2				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50474707 (CHEMBL148627) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO/c21-18-7-3-15(4-8-18)17-11-13-23(14-17)12-1-2-20(24)16-5-9-19(22)10-6-16/h3-10,17H,1-2,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D2				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50474707 (CHEMBL148627) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO/c21-18-7-3-15(4-8-18)17-11-13-23(14-17)12-1-2-20(24)16-5-9-19(22)10-6-16/h3-10,17H,1-2,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D4				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50185474 ((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D4				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D4				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474707 (CHEMBL148627) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO/c21-18-7-3-15(4-8-18)17-11-13-23(14-17)12-1-2-20(24)16-5-9-19(22)10-6-16/h3-10,17H,1-2,11-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474709 (CHEMBL147829) Show SMILES OC1(Cc2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-3-17(4-8-19)16-22(27)11-14-25(15-12-22)13-1-2-21(26)18-5-9-20(24)10-6-18/h3-10,27H,1-2,11-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.05	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50474704 (CHEMBL148794) Show SMILES OC1(CCCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c23-19-8-6-18(7-9-19)22(27)12-2-15-25(16-13-22)14-1-3-21(26)17-4-10-20(24)11-5-17/h4-11,27H,1-3,12-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50474704 (CHEMBL148794) Show SMILES OC1(CCCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c23-19-8-6-18(7-9-19)22(27)12-2-15-25(16-13-22)14-1-3-21(26)17-4-10-20(24)11-5-17/h4-11,27H,1-3,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D4				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50474709 (CHEMBL147829) Show SMILES OC1(Cc2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-3-17(4-8-19)16-22(27)11-14-25(15-12-22)13-1-2-21(26)18-5-9-20(24)10-6-18/h3-10,27H,1-2,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D2				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50474704 (CHEMBL148794) Show SMILES OC1(CCCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c23-19-8-6-18(7-9-19)22(27)12-2-15-25(16-13-22)14-1-3-21(26)17-4-10-20(24)11-5-17/h4-11,27H,1-3,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D2				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	9.05	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A and M University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D2				J Med Chem 47: 497-508 (2004) Article DOI: 10.1021/jm0301033 BindingDB Entry DOI: 10.7270/Q2445Q6H
					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	180	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016553 (CHEMBL36108 | [(4-Benzoylamino-benzenesulfonyl)-ph...) Show SMILES OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C21H18N2O5S/c24-20(25)15-23(18-9-5-2-6-10-18)29(27,28)19-13-11-17(12-14-19)22-21(26)16-7-3-1-4-8-16/h1-14H,15H2,(H,22,26)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016557 ((Naphthalene-2-sulfonylamino)-acetic acid | CHEMBL...) Show SMILES OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C12H11NO4S/c14-12(15)8-13-18(16,17)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,13H,8H2,(H,14,15)	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	400	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016550 ((4-Benzoylamino-benzenesulfonylamino)-acetic acid ...) Show SMILES OC(=O)CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C15H14N2O5S/c18-14(19)10-16-23(21,22)13-8-6-12(7-9-13)17-15(20)11-4-2-1-3-5-11/h1-9,16H,10H2,(H,17,20)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016572 (CHEMBL286389 | [(3-Nitro-benzenesulfonyl)-phenyl-a...) Show SMILES OC(=O)CN(c1ccccc1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C14H12N2O6S/c17-14(18)10-15(11-5-2-1-3-6-11)23(21,22)13-8-4-7-12(9-13)16(19)20/h1-9H,10H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016549 (CHEMBL37072 | [(4-Methoxy-benzenesulfonyl)-phenyl-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccccc1 Show InChI InChI=1S/C15H15NO5S/c1-21-13-7-9-14(10-8-13)22(19,20)16(11-15(17)18)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50367835 (CHEMBL1907953) Show SMILES OC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C18H15NO4S/c20-18(21)17(14-7-2-1-3-8-14)19-24(22,23)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17,19H,(H,20,21)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016591 (CHEMBL34976 | [(2-Nitro-benzenesulfonyl)-phenyl-am...) Show SMILES OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C14H12N2O6S/c17-14(18)10-15(11-6-2-1-3-7-11)23(21,22)13-9-5-4-8-12(13)16(19)20/h1-9H,10H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016551 (CHEMBL37003 | [(4-Nitro-benzenesulfonyl)-phenyl-am...) Show SMILES OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C14H12N2O6S/c17-14(18)10-15(11-4-2-1-3-5-11)23(21,22)13-8-6-12(7-9-13)16(19)20/h1-9H,10H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016576 (CHEMBL35870 | [(Naphthalene-2-sulfonyl)-phenyl-ami...) Show SMILES OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C18H15NO4S/c20-18(21)13-19(16-8-2-1-3-9-16)24(22,23)17-11-10-14-6-4-5-7-15(14)12-17/h1-12H,13H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016582 (2-(Naphthalene-2-sulfonylamino)-benzoic acid | CHE...) Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C17H13NO4S/c19-17(20)15-7-3-4-8-16(15)18-23(21,22)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,18H,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair

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