Compile Data Set for Download or QSAR
Found 1385 with Last Name = 'pfeiffer' and Initial = 'b'
TargetUrotensin-2 receptor(Homo sapiens (Human))
University of Rouen

Curated by ChEMBL
LigandPNGBDBM50002726(CHEMBL2371933)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C51H64N10O11S2/c1-28(2)43(51(71)72)61-50(70)41-27-74-73-26-40(59-45(65)36-19-20-42(63)54-36)49(69)57-37(22-29-10-4-3-5-11-29)46(66)58-39(24-31-25-53-34-13-7-6-12-33(31)34)48(68)55-35(14-8-9-21-52)44(64)56-38(47(67)60-41)23-30-15-17-32(62)18-16-30/h3-7,10-13,15-18,25,28,35-41,43,53,62H,8-9,14,19-24,26-27,52H2,1-2H3,(H,54,63)(H,55,68)(H,56,64)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)/t35-,36-,37-,38-,39-,40-,41-,43-/m0/s1
Affinity DataKi:  0.910nMAssay Description:Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cellsChecked by AuthorMore data for this Ligand-Target Pair
TargetUrotensin-2 receptor(Homo sapiens (Human))
University of Rouen

Curated by ChEMBL
LigandPNGBDBM50002718(CHEMBL385281)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C52H64N10O11S3/c1-28(2)44(52(72)73)62-51(71)41-27-76-75-26-40(60-45(65)34(54)23-43(63)64)50(70)59-39(22-31-25-74-42-18-9-7-15-33(31)42)49(69)58-38(21-30-24-55-35-16-8-6-14-32(30)35)48(68)56-36(17-10-11-19-53)46(66)57-37(47(67)61-41)20-29-12-4-3-5-13-29/h3-9,12-16,18,24-25,28,34,36-41,44,55H,10-11,17,19-23,26-27,53-54H2,1-2H3,(H,56,68)(H,57,66)(H,58,69)(H,59,70)(H,60,65)(H,61,67)(H,62,71)(H,63,64)(H,72,73)/t34-,36-,37-,38-,39-,40-,41-,44-/m0/s1
Affinity DataKi:  1.10nMAssay Description:Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cellsChecked by AuthorMore data for this Ligand-Target Pair
TargetUrotensin-2 receptor(Homo sapiens (Human))
University of Rouen

Curated by ChEMBL
LigandPNGBDBM50320463(CHEMBL218994 | D[CFWKYC]V | H-Asp-Cys-Phe-Trp-Lys-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C50H64N10O12S2/c1-27(2)42(50(71)72)60-49(70)40-26-74-73-25-39(58-43(64)33(52)23-41(62)63)48(69)56-36(20-28-10-4-3-5-11-28)45(66)57-38(22-30-24-53-34-13-7-6-12-32(30)34)47(68)54-35(14-8-9-19-51)44(65)55-37(46(67)59-40)21-29-15-17-31(61)18-16-29/h3-7,10-13,15-18,24,27,33,35-40,42,53,61H,8-9,14,19-23,25-26,51-52H2,1-2H3,(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,64)(H,59,67)(H,60,70)(H,62,63)(H,71,72)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1
Affinity DataKi:  1.20nMAssay Description:Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cellsChecked by AuthorMore data for this Ligand-Target Pair
TargetUrotensin-2 receptor(Homo sapiens (Human))
University of Rouen

Curated by ChEMBL
LigandPNGBDBM50002725(CHEMBL374468)
Show SMILES CN[C@@H](CC(O)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C51H66N10O12S2/c1-28(2)43(51(72)73)61-50(71)41-27-75-74-26-40(59-45(66)36(53-3)24-42(63)64)49(70)57-37(21-29-11-5-4-6-12-29)46(67)58-39(23-31-25-54-34-14-8-7-13-33(31)34)48(69)55-35(15-9-10-20-52)44(65)56-38(47(68)60-41)22-30-16-18-32(62)19-17-30/h4-8,11-14,16-19,25,28,35-41,43,53-54,62H,9-10,15,20-24,26-27,52H2,1-3H3,(H,55,69)(H,56,65)(H,57,70)(H,58,67)(H,59,66)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,43-/m0/s1
Affinity DataKi:  1.60nMAssay Description:Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cellsChecked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50293279(1-Methyl-5-[(1-propylpiperidin-4-yl)methyloxy]-pyr...)
Show SMILES CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1
Show InChI InChI=1S/C19H25N3OS/c1-3-8-21-10-6-15(7-11-21)12-23-18-16-5-4-9-22(16)17-14(2)13-24-19(17)20-18/h4-5,9,13,15H,3,6-8,10-12H2,1-2H3
Affinity DataKi:  1.74nMAssay Description:Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membraneMore data for this Ligand-Target Pair
TargetNischarin(Homo sapiens (Human))
Université d'Orléans

Curated by ChEMBL
LigandPNGBDBM50127591(2-(4,5-Dihydro-1H-imidazol-2-yl)-4,6-dimethyl-3,4-...)
Show SMILES CN1CC(Oc2ccc(C)cc12)C1=NCCN1
Show InChI InChI=1S/C13H17N3O/c1-9-3-4-11-10(7-9)16(2)8-12(17-11)13-14-5-6-15-13/h3-4,7,12H,5-6,8H2,1-2H3,(H,14,15)
Affinity DataKi:  2nMAssay Description:In vitro binding affinity determined against imidazoline receptor I-2 using rabbit kidney preparationMore data for this Ligand-Target Pair
TargetUrotensin-2 receptor(Homo sapiens (Human))
University of Rouen

Curated by ChEMBL
LigandPNGBDBM50002728(CHEMBL218825)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)C(C)(C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C50H66N10O10S2/c1-28(2)41(48(68)69)60-47(67)39-26-71-72-27-40(59-49(70)50(3,4)52)46(66)56-36(22-29-12-6-5-7-13-29)43(63)57-38(24-31-25-53-34-15-9-8-14-33(31)34)45(65)54-35(16-10-11-21-51)42(62)55-37(44(64)58-39)23-30-17-19-32(61)20-18-30/h5-9,12-15,17-20,25,28,35-41,53,61H,10-11,16,21-24,26-27,51-52H2,1-4H3,(H,54,65)(H,55,62)(H,56,66)(H,57,63)(H,58,64)(H,59,70)(H,60,67)(H,68,69)/t35-,36-,37-,38-,39-,40-,41-/m0/s1
Affinity DataKi:  2.20nMAssay Description:Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cellsChecked by AuthorMore data for this Ligand-Target Pair
TargetUrotensin-2 receptor(Homo sapiens (Human))
University of Rouen

Curated by ChEMBL
LigandPNGBDBM50002723(CHEMBL265166)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)c(c2)[N+]([O-])=O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C50H63N11O14S2/c1-26(2)42(50(72)73)60-49(71)38-25-77-76-24-37(58-43(65)31(52)22-41(63)64)48(70)56-34(18-27-10-4-3-5-11-27)45(67)57-36(21-29-23-53-32-13-7-6-12-30(29)32)47(69)54-33(14-8-9-17-51)44(66)55-35(46(68)59-38)19-28-15-16-40(62)39(20-28)61(74)75/h3-7,10-13,15-16,20,23,26,31,33-38,42,53,62H,8-9,14,17-19,21-22,24-25,51-52H2,1-2H3,(H,54,69)(H,55,66)(H,56,70)(H,57,67)(H,58,65)(H,59,68)(H,60,71)(H,63,64)(H,72,73)/t31-,33-,34-,35-,36-,37-,38-,42-/m0/s1
Affinity DataKi:  2.40nMAssay Description:Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cellsChecked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50108392((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
Affinity DataKi:  2.80nMAssay Description:Binding affinity at 5HT3 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50122716(5-(Piperidin-4-ylmethoxy)-9-propyl-1,2,3,4-tetrahy...)
Show SMILES CCCN1CCC(COc2nc3ccccc3c3NCCCc23)CC1
Show InChI InChI=1S/C21H29N3O/c1-2-12-24-13-9-16(10-14-24)15-25-21-18-7-5-11-22-20(18)17-6-3-4-8-19(17)23-21/h3-4,6,8,16,22H,2,5,7,9-15H2,1H3
Affinity DataKi:  2.90nMAssay Description:Ability to displace [3H]GR-113808 from 5-hydroxytryptamine 4 receptorMore data for this Ligand-Target Pair
TargetUrotensin-2 receptor(Homo sapiens (Human))
University of Rouen

Curated by ChEMBL
LigandPNGBDBM50002717(CHEMBL216712)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C48H62N10O11S3/c1-26(2)40(48(68)69)58-47(67)38-25-72-71-24-37(56-41(61)31(50)22-39(59)60)46(66)55-36(21-29-13-10-18-70-29)45(65)54-35(20-28-23-51-32-15-7-6-14-30(28)32)44(64)52-33(16-8-9-17-49)42(62)53-34(43(63)57-38)19-27-11-4-3-5-12-27/h3-7,10-15,18,23,26,31,33-38,40,51H,8-9,16-17,19-22,24-25,49-50H2,1-2H3,(H,52,64)(H,53,62)(H,54,65)(H,55,66)(H,56,61)(H,57,63)(H,58,67)(H,59,60)(H,68,69)/t31-,33-,34-,35-,36-,37-,38-,40-/m0/s1
Affinity DataKi:  2.90nMAssay Description:Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cellsChecked by AuthorMore data for this Ligand-Target Pair
TargetUrotensin-2 receptor(Homo sapiens (Human))
University of Rouen

Curated by ChEMBL
LigandPNGBDBM50002727(CHEMBL266651)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C51H66N10O12S2/c1-28(2)43(51(72)73)61-50(71)41-27-75-74-26-40(59-44(65)34(53)19-20-42(63)64)49(70)57-37(22-29-10-4-3-5-11-29)46(67)58-39(24-31-25-54-35-13-7-6-12-33(31)35)48(69)55-36(14-8-9-21-52)45(66)56-38(47(68)60-41)23-30-15-17-32(62)18-16-30/h3-7,10-13,15-18,25,28,34,36-41,43,54,62H,8-9,14,19-24,26-27,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t34-,36-,37-,38-,39-,40-,41-,43-/m0/s1
Affinity DataKi:  3nMAssay Description:Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cellsChecked by AuthorMore data for this Ligand-Target Pair
TargetNischarin(Homo sapiens (Human))
Université d'Orléans

Curated by ChEMBL
LigandPNGBDBM50127590(4-(4,5-Dihydro-1H-imidazol-2-yl)-3,4-dihydro-5-oxa...)
Show SMILES C1CN=C(N1)C1Cn2ccc3cccc(O1)c23
Show InChI InChI=1S/C13H13N3O/c1-2-9-4-7-16-8-11(13-14-5-6-15-13)17-10(3-1)12(9)16/h1-4,7,11H,5-6,8H2,(H,14,15)
Affinity DataKi:  3.5nMAssay Description:In vitro binding affinity determined against imidazoline receptor I-1 from rabbit kidney preparationMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50413548(CHEMBL512679)
Show SMILES CCCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1
Show InChI InChI=1S/C20H27N3OS/c1-3-4-9-22-11-7-16(8-12-22)13-24-19-17-6-5-10-23(17)18-15(2)14-25-20(18)21-19/h5-6,10,14,16H,3-4,7-9,11-13H2,1-2H3
Affinity DataKi:  5.37nMAssay Description:Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membraneMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50413547(CHEMBL448702)
Show SMILES CC(C)N1CCC(COc2nc3scc(C)c3n3cccc23)CC1
Show InChI InChI=1S/C19H25N3OS/c1-13(2)21-9-6-15(7-10-21)11-23-18-16-5-4-8-22(16)17-14(3)12-24-19(17)20-18/h4-5,8,12-13,15H,6-7,9-11H2,1-3H3
Affinity DataKi:  6.46nMAssay Description:Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membraneMore data for this Ligand-Target Pair
TargetNischarin(Homo sapiens (Human))
Université d'Orléans

Curated by ChEMBL
LigandPNGBDBM50127595(2-(4,5-Dihydro-1H-imidazol-2-yl)-4-methyl-3,4-dihy...)
Show SMILES COC(=O)c1ccc2OC(CN(C)c2c1)C1=NCCN1
Show InChI InChI=1S/C14H17N3O3/c1-17-8-12(13-15-5-6-16-13)20-11-4-3-9(7-10(11)17)14(18)19-2/h3-4,7,12H,5-6,8H2,1-2H3,(H,15,16)
Affinity DataKi:  7nMAssay Description:In vitro binding affinity determined against imidazoline receptor I-2 using rabbit kidney preparationMore data for this Ligand-Target Pair
TargetNischarin(Homo sapiens (Human))
Université d'Orléans

Curated by ChEMBL
LigandPNGBDBM50127575(2-(4,5-Dihydro-1H-imidazol-2-yl)-4-methyl-3,4-dihy...)
Show SMILES CN1CC(Oc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C12H15N3O/c1-15-8-11(12-13-6-7-14-12)16-10-5-3-2-4-9(10)15/h2-5,11H,6-8H2,1H3,(H,13,14)
Affinity DataKi:  8nMAssay Description:In vitro binding affinity determined against imidazoline receptor I-1 from rabbit kidney preparationMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50413546(CHEMBL513254)
Show SMILES Cc1csc2nc(OCC3CCN(CC=C)CC3)c3cccn3c12
Show InChI InChI=1S/C19H23N3OS/c1-3-8-21-10-6-15(7-11-21)12-23-18-16-5-4-9-22(16)17-14(2)13-24-19(17)20-18/h3-5,9,13,15H,1,6-8,10-12H2,2H3
Affinity DataKi:  8.51nMAssay Description:Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membraneMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50413545(CHEMBL469575)
Show SMILES C=CCN1CCC(COc2nc3ccsc3n3cccc23)CC1
Show InChI InChI=1S/C18H21N3OS/c1-2-8-20-10-5-14(6-11-20)13-22-17-16-4-3-9-21(16)18-15(19-17)7-12-23-18/h2-4,7,9,12,14H,1,5-6,8,10-11,13H2
Affinity DataKi:  8.71nMAssay Description:Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membraneMore data for this Ligand-Target Pair
TargetUrotensin-2 receptor(Homo sapiens (Human))
University of Rouen

Curated by ChEMBL
LigandPNGBDBM50002716(CHEMBL383996)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(cc2)C(C)(C)C)C(=O)N1)C(O)=O
Show InChI InChI=1S/C54H72N10O11S2/c1-30(2)45(53(74)75)64-52(73)43-29-77-76-28-42(62-46(67)36(56)26-44(65)66)51(72)60-39(23-31-13-7-6-8-14-31)48(69)61-41(25-33-27-57-37-16-10-9-15-35(33)37)50(71)58-38(17-11-12-22-55)47(68)59-40(49(70)63-43)24-32-18-20-34(21-19-32)54(3,4)5/h6-10,13-16,18-21,27,30,36,38-43,45,57H,11-12,17,22-26,28-29,55-56H2,1-5H3,(H,58,71)(H,59,68)(H,60,72)(H,61,69)(H,62,67)(H,63,70)(H,64,73)(H,65,66)(H,74,75)/t36-,38-,39-,40-,41-,42-,43-,45-/m0/s1
Affinity DataKi:  9.10nMAssay Description:Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cellsChecked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50413544(CHEMBL511794)
Show SMILES CCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1
Show InChI InChI=1S/C18H23N3OS/c1-3-20-9-6-14(7-10-20)11-22-17-15-5-4-8-21(15)16-13(2)12-23-18(16)19-17/h4-5,8,12,14H,3,6-7,9-11H2,1-2H3
Affinity DataKi:  9.55nMAssay Description:Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membraneMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50122722(9-Butyl-5-(piperidin-4-ylmethoxy)-1,2,3,4-tetrahyd...)
Show SMILES CCCCN1CCC(COc2nc3ccccc3c3NCCCc23)CC1
Show InChI InChI=1S/C22H31N3O/c1-2-3-13-25-14-10-17(11-15-25)16-26-22-19-8-6-12-23-21(19)18-7-4-5-9-20(18)24-22/h4-5,7,9,17,23H,2-3,6,8,10-16H2,1H3
Affinity DataKi:  10nMAssay Description:Ability to displace [3H]GR-113808 from 5-hydroxytryptamine 4 receptorMore data for this Ligand-Target Pair
TargetNischarin(Homo sapiens (Human))
Université d'Orléans

Curated by ChEMBL
LigandPNGBDBM50127600(2-(4,5-Dihydro-1H-imidazol-2-yl)-2,3,5,6-tetrahydr...)
Show SMILES C1CN=C(N1)C1CN2CCCc3cccc(O1)c23
Show InChI InChI=1S/C14H17N3O/c1-3-10-4-2-8-17-9-12(14-15-6-7-16-14)18-11(5-1)13(10)17/h1,3,5,12H,2,4,6-9H2,(H,15,16)
Affinity DataKi:  10nMAssay Description:In vitro binding affinity determined against imidazoline receptor I-2 using rabbit kidney preparationMore data for this Ligand-Target Pair
TargetUrotensin-2 receptor(Homo sapiens (Human))
University of Rouen

Curated by ChEMBL
LigandPNGBDBM50002719(CHEMBL412179)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C50H65N11O11S2/c1-27(2)42(50(71)72)61-49(70)40-26-74-73-25-39(59-43(64)33(53)23-41(62)63)48(69)57-36(20-28-10-4-3-5-11-28)45(66)58-38(22-30-24-54-34-13-7-6-12-32(30)34)47(68)55-35(14-8-9-19-51)44(65)56-37(46(67)60-40)21-29-15-17-31(52)18-16-29/h3-7,10-13,15-18,24,27,33,35-40,42,54H,8-9,14,19-23,25-26,51-53H2,1-2H3,(H,55,68)(H,56,65)(H,57,69)(H,58,66)(H,59,64)(H,60,67)(H,61,70)(H,62,63)(H,71,72)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1
Affinity DataKi:  10nMAssay Description:Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cellsChecked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50122721(6-(1-Ethyl-piperidin-4-ylmethoxy)-8,9,10,11-tetrah...)
Show SMILES CCN1CCC(COc2nc3ccccc3c3NCCCCc23)CC1
Show InChI InChI=1S/C21H29N3O/c1-2-24-13-10-16(11-14-24)15-25-21-18-8-5-6-12-22-20(18)17-7-3-4-9-19(17)23-21/h3-4,7,9,16,22H,2,5-6,8,10-15H2,1H3
Affinity DataKi:  11nMAssay Description:Ability to displace [3H]GR-113808 from 5-hydroxytryptamine 4 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50413543(CHEMBL472481)
Show SMILES Cc1csc2nc(OCC3CCN(CCC=C)CC3)c3cccn3c12
Show InChI InChI=1S/C20H25N3OS/c1-3-4-9-22-11-7-16(8-12-22)13-24-19-17-6-5-10-23(17)18-15(2)14-25-20(18)21-19/h3,5-6,10,14,16H,1,4,7-9,11-13H2,2H3
Affinity DataKi:  11.2nMAssay Description:Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membraneMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50413542(CHEMBL469582)
Show SMILES CCCN1CCC(COc2nc3sccc3n3cccc23)CC1
Show InChI InChI=1S/C18H23N3OS/c1-2-8-20-10-5-14(6-11-20)13-22-17-15-4-3-9-21(15)16-7-12-23-18(16)19-17/h3-4,7,9,12,14H,2,5-6,8,10-11,13H2,1H3
Affinity DataKi:  11.8nMAssay Description:Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membraneMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50413541(CHEMBL469593)
Show SMILES Cc1csc2nc(OCCCN3CCCCC3)c3cccn3c12
Show InChI InChI=1S/C18H23N3OS/c1-14-13-23-18-16(14)21-11-5-7-15(21)17(19-18)22-12-6-10-20-8-3-2-4-9-20/h5,7,11,13H,2-4,6,8-10,12H2,1H3
Affinity DataKi:  12.9nMAssay Description:Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membraneMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50122718(6-(1-Propyl-piperidin-4-ylmethoxy)-8,9,10,11-tetra...)
Show SMILES CCCN1CCC(COc2nc3ccccc3c3NCCCCc23)CC1
Show InChI InChI=1S/C22H31N3O/c1-2-13-25-14-10-17(11-15-25)16-26-22-19-8-5-6-12-23-21(19)18-7-3-4-9-20(18)24-22/h3-4,7,9,17,23H,2,5-6,8,10-16H2,1H3
Affinity DataKi:  13nMAssay Description:Ability to displace [3H]GR-113808 from 5-hydroxytryptamine 4 receptorMore data for this Ligand-Target Pair
TargetNischarin(Homo sapiens (Human))
Université d'Orléans

Curated by ChEMBL
LigandPNGBDBM50127590(4-(4,5-Dihydro-1H-imidazol-2-yl)-3,4-dihydro-5-oxa...)
Show SMILES C1CN=C(N1)C1Cn2ccc3cccc(O1)c23
Show InChI InChI=1S/C13H13N3O/c1-2-9-4-7-16-8-11(13-14-5-6-15-13)17-10(3-1)12(9)16/h1-4,7,11H,5-6,8H2,(H,14,15)
Affinity DataKi:  13nMAssay Description:In vitro binding affinity determined against imidazoline receptor I-1 from rabbit kidney preparationMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50122723(9-Ethyl-5-(piperidin-4-ylmethoxy)-1,2,3,4-tetrahyd...)
Show SMILES CCN1CCC(COc2nc3ccccc3c3NCCCc23)CC1
Show InChI InChI=1S/C20H27N3O/c1-2-23-12-9-15(10-13-23)14-24-20-17-7-5-11-21-19(17)16-6-3-4-8-18(16)22-20/h3-4,6,8,15,21H,2,5,7,9-14H2,1H3
Affinity DataKi:  13nMAssay Description:Ability to displace [3H]GR-113808 from 5-hydroxytryptamine 4 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50122719(9-Pentyl-5-(piperidin-4-ylmethoxy)-1,2,3,4-tetrahy...)
Show SMILES CCCCCN1CCC(COc2nc3ccccc3c3NCCCc23)CC1
Show InChI InChI=1S/C23H33N3O/c1-2-3-6-14-26-15-11-18(12-16-26)17-27-23-20-9-7-13-24-22(20)19-8-4-5-10-21(19)25-23/h4-5,8,10,18,24H,2-3,6-7,9,11-17H2,1H3
Affinity DataKi:  13nMAssay Description:Ability to displace [3H]GR-113808 from 5-hydroxytryptamine 4 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50122720(6-(1-Butyl-piperidin-4-ylmethoxy)-8,9,10,11-tetrah...)
Show SMILES CCCCN1CCC(COc2nc3ccccc3c3NCCCCc23)CC1
Show InChI InChI=1S/C23H33N3O/c1-2-3-14-26-15-11-18(12-16-26)17-27-23-20-9-6-7-13-24-22(20)19-8-4-5-10-21(19)25-23/h4-5,8,10,18,24H,2-3,6-7,9,11-17H2,1H3
Affinity DataKi:  16nMAssay Description:Ability to displace [3H]GR-113808 from 5-hydroxytryptamine 4 receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50413540(CHEMBL471662)
Show SMILES CCCN1CCC(COc2nc3ccsc3n3cccc23)CC1
Show InChI InChI=1S/C18H23N3OS/c1-2-8-20-10-5-14(6-11-20)13-22-17-16-4-3-9-21(16)18-15(19-17)7-12-23-18/h3-4,7,9,12,14H,2,5-6,8,10-11,13H2,1H3
Affinity DataKi:  16.2nMAssay Description:Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membraneMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50413539(CHEMBL450595)
Show SMILES CCN(CC)CCCCOc1nc2ccsc2n2cccc12
Show InChI InChI=1S/C17H23N3OS/c1-3-19(4-2)10-5-6-12-21-16-15-8-7-11-20(15)17-14(18-16)9-13-22-17/h7-9,11,13H,3-6,10,12H2,1-2H3
Affinity DataKi:  16.2nMAssay Description:Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membraneMore data for this Ligand-Target Pair
TargetNischarin(Homo sapiens (Human))
Université d'Orléans

Curated by ChEMBL
LigandPNGBDBM50127572(2-(4,5-Dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl...)
Show SMILES CN1CC(Oc2ccc(F)cc12)C1=NCCN1
Show InChI InChI=1S/C12H14FN3O/c1-16-7-11(12-14-4-5-15-12)17-10-3-2-8(13)6-9(10)16/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)
Affinity DataKi:  17nMAssay Description:In vitro binding affinity determined against imidazoline receptor I-2 using rabbit kidney preparationMore data for this Ligand-Target Pair
TargetNischarin(Homo sapiens (Human))
Université d'Orléans

Curated by ChEMBL
LigandPNGBDBM50127573(2-(4,5-Dihydro-1H-imidazol-2-yl)-6-ethoxymethyl-4-...)
Show SMILES CCOCc1ccc2OC(CN(C)c2c1)C1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-3-19-10-11-4-5-13-12(8-11)18(2)9-14(20-13)15-16-6-7-17-15/h4-5,8,14H,3,6-7,9-10H2,1-2H3,(H,16,17)
Affinity DataKi:  17nMAssay Description:In vitro binding affinity determined against imidazoline receptor I-2 using rabbit kidney preparationMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50413538(CHEMBL516340)
Show SMILES CC(C)N1CCC(COc2nc3ccsc3n3cccc23)CC1
Show InChI InChI=1S/C18H23N3OS/c1-13(2)20-9-5-14(6-10-20)12-22-17-16-4-3-8-21(16)18-15(19-17)7-11-23-18/h3-4,7-8,11,13-14H,5-6,9-10,12H2,1-2H3
Affinity DataKi:  18.2nMAssay Description:Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membraneMore data for this Ligand-Target Pair
TargetUrotensin-2 receptor(Homo sapiens (Human))
University of Rouen

Curated by ChEMBL
LigandPNGBDBM50002715(CHEMBL376223)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C50H69IN10O12S2/c1-26(2)42(50(72)73)61-49(71)39-25-75-74-24-38(59-43(65)32(53)22-41(63)64)48(70)57-35(19-27-10-4-3-5-11-27)45(67)58-37(21-29-23-54-33-13-7-6-12-30(29)33)47(69)55-34(14-8-9-17-52)44(66)56-36(46(68)60-39)20-28-15-16-40(62)31(51)18-28/h6-7,12-13,15-16,18,23,26-27,32,34-39,42,54,62H,3-5,8-11,14,17,19-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t32-,34-,35-,36-,37-,38-,39-,42-/m0/s1
Affinity DataKi:  19nMAssay Description:Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cellsChecked by AuthorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50413522(CHEMBL511312)
Show SMILES CCN1CCC(COc2nc3ccsc3n3cccc23)CC1
Show InChI InChI=1S/C17H21N3OS/c1-2-19-9-5-13(6-10-19)12-21-16-15-4-3-8-20(15)17-14(18-16)7-11-22-17/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3
Affinity DataKi:  19.1nMAssay Description:Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membraneMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50413537(CHEMBL469379)
Show SMILES CCCCN1CCC(COc2nc3sccc3n3cccc23)CC1
Show InChI InChI=1S/C19H25N3OS/c1-2-3-9-21-11-6-15(7-12-21)14-23-18-16-5-4-10-22(16)17-8-13-24-19(17)20-18/h4-5,8,10,13,15H,2-3,6-7,9,11-12,14H2,1H3
Affinity DataKi:  20.9nMAssay Description:Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membraneMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50413521(CHEMBL471663)
Show SMILES CCCCN1CCC(COc2nc3ccsc3n3cccc23)CC1
Show InChI InChI=1S/C19H25N3OS/c1-2-3-9-21-11-6-15(7-12-21)14-23-18-17-5-4-10-22(17)19-16(20-18)8-13-24-19/h4-5,8,10,13,15H,2-3,6-7,9,11-12,14H2,1H3
Affinity DataKi:  20.9nMAssay Description:Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membraneMore data for this Ligand-Target Pair
TargetNischarin(Homo sapiens (Human))
Université d'Orléans

Curated by ChEMBL
LigandPNGBDBM50127591(2-(4,5-Dihydro-1H-imidazol-2-yl)-4,6-dimethyl-3,4-...)
Show SMILES CN1CC(Oc2ccc(C)cc12)C1=NCCN1
Show InChI InChI=1S/C13H17N3O/c1-9-3-4-11-10(7-9)16(2)8-12(17-11)13-14-5-6-15-13/h3-4,7,12H,5-6,8H2,1-2H3,(H,14,15)
Affinity DataKi:  22nMAssay Description:In vitro binding affinity determined against imidazoline receptor I-1 from rabbit kidney preparationMore data for this Ligand-Target Pair
TargetUrotensin-2 receptor(Homo sapiens (Human))
University of Rouen

Curated by ChEMBL
LigandPNGBDBM50002720(CHEMBL219356)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(cc2)C(C)(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C54H72N10O11S2/c1-30(2)45(53(74)75)64-52(73)43-29-77-76-28-42(62-46(67)36(56)26-44(65)66)51(72)60-40(24-32-18-20-34(21-19-32)54(3,4)5)48(69)61-41(25-33-27-57-37-16-10-9-15-35(33)37)50(71)58-38(17-11-12-22-55)47(68)59-39(49(70)63-43)23-31-13-7-6-8-14-31/h6-10,13-16,18-21,27,30,36,38-43,45,57H,11-12,17,22-26,28-29,55-56H2,1-5H3,(H,58,71)(H,59,68)(H,60,72)(H,61,69)(H,62,67)(H,63,70)(H,64,73)(H,65,66)(H,74,75)/t36-,38-,39-,40-,41-,42-,43-,45-/m0/s1
Affinity DataKi:  23nMAssay Description:Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cellsChecked by AuthorMore data for this Ligand-Target Pair
TargetNischarin(Homo sapiens (Human))
Université d'Orléans

Curated by ChEMBL
LigandPNGBDBM50127599(2-(4,5-Dihydro-1H-imidazol-2-yl)-4,8-dimethyl-3,4-...)
Show SMILES CN1CC(Oc2c(C)cccc12)C1=NCCN1
Show InChI InChI=1S/C13H17N3O/c1-9-4-3-5-10-12(9)17-11(8-16(10)2)13-14-6-7-15-13/h3-5,11H,6-8H2,1-2H3,(H,14,15)
Affinity DataKi:  23nMAssay Description:In vitro binding affinity determined against imidazoline receptor I-1 from rabbit kidney preparationMore data for this Ligand-Target Pair
TargetNischarin(Homo sapiens (Human))
Université d'Orléans

Curated by ChEMBL
LigandPNGBDBM50127572(2-(4,5-Dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl...)
Show SMILES CN1CC(Oc2ccc(F)cc12)C1=NCCN1
Show InChI InChI=1S/C12H14FN3O/c1-16-7-11(12-14-4-5-15-12)17-10-3-2-8(13)6-9(10)16/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)
Affinity DataKi:  24nMAssay Description:In Vitro binding affinity for imidazoline receptor I-1 of rabbit kidney at 10e-7 MMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A/1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique

Curated by ChEMBL
LigandPNGBDBM50230661(CHEMBL288301)
Show SMILES COc1ccc2cccc(CCNC(=O)C3CCC3)c2c1
Show InChI InChI=1S/C18H21NO2/c1-21-16-9-8-13-4-2-5-14(17(13)12-16)10-11-19-18(20)15-6-3-7-15/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3,(H,19,20)
Affinity DataKi:  24nMAssay Description:Affinity against melatonin receptor was determinedMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50413536(CHEMBL511148)
Show SMILES CCCCCN1CCC(COc2nc3ccsc3n3cccc23)CC1
Show InChI InChI=1S/C20H27N3OS/c1-2-3-4-10-22-12-7-16(8-13-22)15-24-19-18-6-5-11-23(18)20-17(21-19)9-14-25-20/h5-6,9,11,14,16H,2-4,7-8,10,12-13,15H2,1H3
Affinity DataKi:  25.7nMAssay Description:Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membraneMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 4(GUINEA PIG)
Université de Caen

Curated by ChEMBL
LigandPNGBDBM50413535(CHEMBL513020)
Show SMILES C=CCN1CCC(COc2nc3sccc3n3cccc23)CC1
Show InChI InChI=1S/C18H21N3OS/c1-2-8-20-10-5-14(6-11-20)13-22-17-15-4-3-9-21(15)16-7-12-23-18(16)19-17/h2-4,7,9,12,14H,1,5-6,8,10-11,13H2
Affinity DataKi:  29.5nMAssay Description:Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membraneMore data for this Ligand-Target Pair
TargetNischarin(Homo sapiens (Human))
Université d'Orléans

Curated by ChEMBL
LigandPNGBDBM50127578(4-(4,5-Dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydr...)
Show SMILES C1CN=C(N1)C1CN2CCc3cccc(O1)c23
Show InChI InChI=1S/C13H15N3O/c1-2-9-4-7-16-8-11(13-14-5-6-15-13)17-10(3-1)12(9)16/h1-3,11H,4-8H2,(H,14,15)
Affinity DataKi:  33nMAssay Description:In vitro binding affinity determined against imidazoline receptor I-2 using rabbit kidney preparationMore data for this Ligand-Target Pair
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