Compile Data Set for Download or QSAR
Found 5638 with Last Name = 'fensome' and Initial = 'a'
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM35229(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
Affinity DataKi:  2.10nMAssay Description:Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM35229(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
Affinity DataKi:  2.10nMAssay Description:Inhibition of [3H]nisoxetine binding to human NET expressed in MDCK-Net6 cells by plate scintillation countingMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM35229(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
Affinity DataKi:  2.10nMAssay Description:Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM35229(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
Affinity DataKi:  3.40nMAssay Description:Inhibition of human NET-mediated norepinephrine uptake in MDCK-Net6 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50005536(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
Affinity DataKi:  22.1nMAssay Description:Inhibition of [3H]WIN-35428 binding to human recombinant DAT expressed in CHO cells by scintillation countingMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50005536(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
Affinity DataKi:  22.1nMAssay Description:Displacement of [3H]WIN35428 from human recombinant DAT expressed in CHO cellsMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50005536(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
Affinity DataKi:  22.1nMAssay Description:Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cellsMore data for this Ligand-Target Pair
TargetProgesterone receptor(Rattus norvegicus)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50126158(3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexa...)
Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C20H17FN2S/c21-16-9-13(12-22)8-15(10-16)14-4-5-18-17(11-14)20(19(24)23-18)6-2-1-3-7-20/h4-5,8-11H,1-3,6-7H2,(H,23,24)
Affinity DataIC50: 0.00250nMAssay Description:Inhibitory progestational activity on oral administration in uterine C3 modelMore data for this Ligand-Target Pair
TargetProgesterone receptor(Rattus norvegicus)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50067678((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
Affinity DataIC50: 0.0260nMAssay Description:Inhibitory progestational activity on oral administration in uterine C3 modelMore data for this Ligand-Target Pair
TargetProgesterone receptor(Rattus norvegicus)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50404222(CHEMBL417475)
Show SMILES S=C1Nc2ccc(cc2C11CCCCC1)-c1ccc(s1)C#N
Show InChI InChI=1S/C18H16N2S2/c19-11-13-5-7-16(22-13)12-4-6-15-14(10-12)18(17(21)20-15)8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,20,21)
Affinity DataIC50: 0.0300nMAssay Description:Effective concnetration against Androgen receptor in mouse fibroblast L929 cellsMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM18627((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
Affinity DataIC50: 0.100nMAssay Description:Progesterone receptor antagonist activity based on its ability to block progesterone induced alkaline phosphatase in the human breast cancer cell lin...More data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM18627((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
Affinity DataIC50: 0.130nMAssay Description:Antagonist activity against progesterone receptor (PR) in an alkaline phosphatase assay in the T47D human breast carcinoma cell lineMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM18627((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
Affinity DataIC50: 0.200nMAssay Description:Inhibition of progesterone receptor mediated progesterone-induced alkaline phosphatase activity in human T47D cellsMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM18627((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
Affinity DataIC50: 0.200nMAssay Description:Antagonist activity at human PR expressed in human T47D cells assessed as inhibition of progesterone induced alkaline phosphataseMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM18627((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
Affinity DataIC50: 0.200nMAssay Description:Antagonist activity at progesterone receptor assessed as progesterone-induced alkaline phosphatase activity in human T47D cellsMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM18627((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
Affinity DataIC50: 0.200nMAssay Description:Antagonistic activity against Progesterone receptor (PR) in transcriptional activation assay in human T47D breast carcinoma cell lineMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50375423(ASOPRISNIL)
Show SMILES COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC
Show InChI InChI=1S/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,23-25H,8-13,15-17H2,1-3H3/t23-,24+,25-,27-,28+/m0/s1
Affinity DataIC50: 0.300nMAssay Description:Antagonist activity at progesterone receptor by cellular reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoMMDBPC cidPC sid
TargetProgesterone receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50375423(ASOPRISNIL)
Show SMILES COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC
Show InChI InChI=1S/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,23-25H,8-13,15-17H2,1-3H3/t23-,24+,25-,27-,28+/m0/s1
Affinity DataIC50: 0.300nMAssay Description:Antagonist activity against progesterone receptor in human T47D cells by alkaline phosphatase assayMore data for this Ligand-Target Pair
Ligand InfoMMDBPC cidPC sid
TargetProgesterone receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM18627((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
Affinity DataIC50: 0.300nMAssay Description:Antagonist activity against progesterone receptor (PR) using PRE-luciferase plasmid co-transfected CV-1 cellsMore data for this Ligand-Target Pair
TargetProgesterone receptor(Rattus norvegicus)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50375837(CHEMBL270976)
Show SMILES S=C1Nc2ccc(cc2C11CCCCC1)-c1cccc(c1)C#N
Show InChI InChI=1S/C20H18N2S/c21-13-14-5-4-6-15(11-14)16-7-8-18-17(12-16)20(19(23)22-18)9-2-1-3-10-20/h4-8,11-12H,1-3,9-10H2,(H,22,23)
Affinity DataIC50: 0.300nMAssay Description:Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cellsMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM18627((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
Affinity DataIC50: 0.300nMAssay Description:Antagonist activity against the Progesterone Receptor (PR)More data for this Ligand-Target Pair
TargetProgesterone receptor(Rattus norvegicus)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50404229(CHEMBL24089)
Show SMILES Clc1cccc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Show InChI InChI=1S/C19H18ClNS/c20-15-6-4-5-13(11-15)14-7-8-17-16(12-14)19(18(22)21-17)9-2-1-3-10-19/h4-8,11-12H,1-3,9-10H2,(H,21,22)
Affinity DataIC50: 0.370nMAssay Description:Inhibitory progestational activity on oral administration in uterine C3 modelMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50219260(5-(3-cyclopentyl-2-thioxo-2,3-dihydro-1H-benzimida...)
Show SMILES Cn1c(ccc1-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1)C#N
Show InChI InChI=1S/C18H18N4S/c1-21-14(11-19)7-9-16(21)12-6-8-15-17(10-12)22(18(23)20-15)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,20,23)
Affinity DataIC50: 0.400nMAssay Description:Binding affinity to cytosolic PR in T47D cells by competition binding assayMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50375821(TANAPROGET)
Show SMILES Cn1c(ccc1-c1ccc2NC(=S)OC(C)(C)c2c1)C#N
Show InChI InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)
Affinity DataIC50: 0.5nMAssay Description:Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assayMore data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM18627((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
Affinity DataIC50: 0.600nMAssay Description:Antagonist activity at cloned glucocorticoid receptor-ligand binding domain expressed in african green monkey COS7 cells by GAL4 luciferase reporter ...More data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM18627((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
Affinity DataIC50: 0.600nMAssay Description:Antagonist activity at human GR ligand binding domain expressed in african green monkey COS7 cells in presence of Dexamethasone by Gal4 hybrid assayMore data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM18627((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
Affinity DataIC50: 0.600nMAssay Description:Antagonist activity at glucocorticoid receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assayMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM18627((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
Affinity DataIC50: 0.600nMAssay Description:Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assayMore data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM18627((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
Affinity DataIC50: 0.800nMAssay Description:Antagonist activity against the Glucocorticoid Receptor (GR)More data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319578((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
Affinity DataIC50: 1nMAssay Description:Inhibition of human NET-mediated norepinephrine uptake in MDCK-Net6 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319577(3-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad...)
Show SMILES CNCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C16H18FN3O2S/c1-18-11-6-12-19-15-9-4-5-10-16(15)20(23(19,21)22)14-8-3-2-7-13(14)17/h2-5,7-10,18H,6,11-12H2,1H3
Affinity DataIC50: 1nMAssay Description:Inhibition of human NET-mediated norepinephrine uptake in MDCK-Net6 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319582(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad...)
Show SMILES CNCCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-19-12-6-7-13-20-16-10-4-5-11-17(16)21(24(20,22)23)15-9-3-2-8-14(15)18/h2-5,8-11,19H,6-7,12-13H2,1H3
Affinity DataIC50: 1.10nMAssay Description:Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cellsMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily A member 3(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50299980((R)-1-(Methylsulfonylamino)-3-[2-(4-methoxyphenyl)...)
Show SMILES COc1ccc(CCN2[C@@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C20H25N3O5S/c1-27-17-8-4-15(5-9-17)12-13-22-19(16-6-10-18(28-2)11-7-16)14-23(20(22)24)21-29(3,25)26/h4-11,19,21H,12-14H2,1-3H3/t19-/m0/s1
Affinity DataIC50: 1.40nMAssay Description:Inhibition of Kv1.3 expressed in CHO cells by patch-clamp techniqueMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50401606(CHEMBL2203825)
Show SMILES CC(C)S(=O)(=O)Nc1ccc(cc1)-c1ccc(C#N)n1C
Show InChI InChI=1S/C15H17N3O2S/c1-11(2)21(19,20)17-13-6-4-12(5-7-13)15-9-8-14(10-16)18(15)3/h4-9,11,17H,1-3H3
Affinity DataIC50: 1.5nMAssay Description:Antagonist activity against progesterone receptor in human T47D cells by alkaline phosphatase assayMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319578((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
Affinity DataIC50: 2nMAssay Description:Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319581((2S)-(4-[3-(2,6-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2c(F)cccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-12(23)9-10-21-15-7-2-3-8-16(15)22(26(21,24)25)17-13(18)5-4-6-14(17)19/h2-8,12,20,23H,9-11H2,1H3/t12-/m0/s1
Affinity DataIC50: 2nMAssay Description:Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319579(4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol-1(3H...)
Show SMILES CNCC(O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C17H21N3O3S/c1-18-13-15(21)11-12-19-16-9-5-6-10-17(16)20(24(19,22)23)14-7-3-2-4-8-14/h2-10,15,18,21H,11-13H2,1H3
Affinity DataIC50: 2nMAssay Description:Inhibition of human NET-mediated norepinephrine uptake in MDCK-Net6 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319580((2S)-4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C17H21N3O3S/c1-18-13-15(21)11-12-19-16-9-5-6-10-17(16)20(24(19,22)23)14-7-3-2-4-8-14/h2-10,15,18,21H,11-13H2,1H3/t15-/m0/s1
Affinity DataIC50: 2nMAssay Description:Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319587(CHEMBL1084042 | {3-[3-(2-Fluoro-phenyl)-2,2-dioxo-...)
Show SMILES CNCCC(C)N1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-13(11-12-19-2)20-16-9-5-6-10-17(16)21(24(20,22)23)15-8-4-3-7-14(15)18/h3-10,13,19H,11-12H2,1-2H3
Affinity DataIC50: 2nMAssay Description:Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319576(4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol-1(3H...)
Show SMILES CNCC(=O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H18FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,19H,10-12H2,1H3
Affinity DataIC50: 2nMAssay Description:Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM22416((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Affinity DataIC50: 2nMAssay Description:Inhibition of serotonin uptake at human SERT expressed in JAR cellsMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319575((2S)-(4-[3-(2,5-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2cc(F)ccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-15-4-2-3-5-16(15)22(26(21,24)25)17-10-12(18)6-7-14(17)19/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m0/s1
Affinity DataIC50: 2nMAssay Description:Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319578((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
Affinity DataIC50: 2nMAssay Description:Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cellsMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50264285(1-methyl-5-(5-methyl-2-oxo-5-(thiophen-2-yl)-1,2,3...)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3cccs3)c2c1)C#N
Show InChI InChI=1S/C20H17N3O2S/c1-20(18-4-3-9-26-18)15-10-13(17-8-6-14(11-21)23(17)2)5-7-16(15)22-19(24)12-25-20/h3-10H,12H2,1-2H3,(H,22,24)
Affinity DataIC50: 2.40nMAssay Description:Displacement of [3H]progesterone from progesterone receptor in human T47D cellsMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50118693(6-(3-Chloro-5-fluoro-phenyl)-4,4-dimethyl-1,4-dihy...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1cc(F)cc(Cl)c1
Show InChI InChI=1S/C16H13ClFNO2/c1-16(2)13-7-9(3-4-14(13)19-15(20)21-16)10-5-11(17)8-12(18)6-10/h3-8H,1-2H3,(H,19,20)
Affinity DataIC50: 2.60nMAssay Description:Antagonist activity against progesterone receptor (PR) in an assay using PRE-luciferase plasmid co-transfected CV-1 cellsMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily A member 1(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50299980((R)-1-(Methylsulfonylamino)-3-[2-(4-methoxyphenyl)...)
Show SMILES COc1ccc(CCN2[C@@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C20H25N3O5S/c1-27-17-8-4-15(5-9-17)12-13-22-19(16-6-10-18(28-2)11-7-16)14-23(20(22)24)21-29(3,25)26/h4-11,19,21H,12-14H2,1-3H3/t19-/m0/s1
Affinity DataIC50: 2.70nMAssay Description:Inhibition of Kv1.1 expressed in CHO cells by patch-clamp techniqueMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319577(3-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad...)
Show SMILES CNCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C16H18FN3O2S/c1-18-11-6-12-19-15-9-4-5-10-16(15)20(23(19,21)22)14-8-3-2-7-13(14)17/h2-5,7-10,18H,6,11-12H2,1H3
Affinity DataIC50: 2.70nMAssay Description:Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cellsMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50110505(4-methyl-5-(2-methyl-1,2-dihydrospiro[3,1-benzoxaz...)
Show SMILES CC1Nc2ccc(cc2C2(CCCCC2)O1)-c1sc(cc1C)C#N
Show InChI InChI=1S/C20H22N2OS/c1-13-10-16(12-21)24-19(13)15-6-7-18-17(11-15)20(23-14(2)22-18)8-4-3-5-9-20/h6-7,10-11,14,22H,3-5,8-9H2,1-2H3
Affinity DataIC50: 2.90nMAssay Description:Binding affinity against progesterone receptor using human T47D breast carcinoma cell lineMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319583((2R)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m1/s1
Affinity DataIC50: 3nMAssay Description:Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptakeMore data for this Ligand-Target Pair
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50313549(CHEMBL1085197 | CHEMBL1204411 | {3-[1-(2-Fluoro-ph...)
Show SMILES CNCCCC1Cc2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C18H21FN2O2S/c1-20-12-6-8-15-13-14-7-2-4-10-17(14)21(24(15,22)23)18-11-5-3-9-16(18)19/h2-5,7,9-11,15,20H,6,8,12-13H2,1H3
Affinity DataIC50: 3nMAssay Description:Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cellsMore data for this Ligand-Target Pair
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