Found 152 hits with Last Name = 'carlin' and Initial = 'jr' 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 |
|---|
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104550
(5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...)Show SMILES C[C@H](CNCCc1ccc(=O)n(C)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:26:28:32.31:34.35,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,2.63,;17.48,2.63,;15.17,1.3,;15.92,-.03,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;9.06,-1.91,;10.57,-2.24,;11.6,-1.1,;11.04,-3.71,;10.01,-4.85,;10.48,-6.31,;8.5,-4.53,)| Show InChI InChI=1S/C38H48N4O2/c1-24-17-25(2)19-29(18-24)36-35(26(3)21-39-16-15-28-9-14-34(43)41(6)22-28)32-20-30(10-13-33(32)40-36)38(4,5)37(44)42-23-27-7-11-31(42)12-8-27/h9-10,13-14,17-20,22,26-27,31,39-40H,7-8,11-12,15-16,21,23H2,1-6H3/t26-,27?,31?/m1/s1 | PDB
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| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin. |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110617
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-[(S)-2-(2-b...)Show SMILES C[C@H](CNCCc1ccc2ocnc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:27:29:34.35:31.32| Show InChI InChI=1S/C38H44N4O2/c1-23-16-24(2)18-27(17-23)36-35(25(3)21-39-15-14-26-6-13-34-33(19-26)40-22-44-34)31-20-28(7-12-32(31)41-36)38(4,5)37(43)42-29-8-9-30(42)11-10-29/h6-7,12-13,16-20,22,25,29-30,39,41H,8-11,14-15,21H2,1-5H3/t25-,29?,30?/m1/s1 | PDB
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110623
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[3-{(S)-2-[2-(1...)Show SMILES C[C@H](CNCCc1ccc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:27:29:33.32:35.36,(8.9,-1.99,;9.93,-3.13,;11.43,-2.8,;11.9,-1.33,;13.39,-1.01,;13.88,.46,;15.37,.78,;16.4,-.36,;17.9,-.03,;18.38,1.44,;19.77,2.06,;19.61,3.58,;18.1,3.9,;17.34,2.58,;15.84,2.25,;9.46,-4.59,;10.36,-5.84,;9.46,-7.08,;7.99,-6.6,;6.67,-7.36,;5.34,-6.6,;5.34,-5.06,;6.67,-4.29,;7.99,-5.06,;3.99,-4.29,;2.65,-3.52,;4.76,-2.96,;3.22,-5.64,;3.99,-6.97,;1.68,-5.64,;.92,-4.31,;-.42,-5.1,;-1.76,-4.33,;-1.35,-5.82,;-.02,-6.59,;-.02,-8.13,;-.79,-6.81,;11.88,-6.01,;12.51,-7.41,;14.05,-7.57,;14.67,-8.99,;14.95,-6.32,;14.33,-4.92,;15.23,-3.66,;12.79,-4.76,)| Show InChI InChI=1S/C39H47N5O/c1-24-16-25(2)18-29(17-24)37-36(26(3)21-40-15-14-27-8-12-34-35(19-27)42-23-41-34)32-20-30(9-13-33(32)43-37)39(4,5)38(45)44-22-28-6-10-31(44)11-7-28/h8-9,12-13,16-20,23,26,28,31,40,43H,6-7,10-11,14-15,21-22H2,1-5H3,(H,41,42)/t26-,28?,31?/m1/s1 | PDB
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110626
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[3-{(S)-2-[2-(1...)Show SMILES C[C@H](CNCCc1ccc2nn[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.54,-2.59,;13.54,-4.34,;15.05,-5.22,;16.55,-4.34,;18.06,-5.22,;19.59,-4.34,;21.08,-5.22,;21.11,-6.97,;22.62,-7.82,;24.1,-6.94,;25.76,-7.47,;26.77,-6.07,;25.77,-4.67,;24.1,-5.22,;22.59,-4.34,;12.03,-5.22,;12.04,-6.73,;10.73,-7.52,;9.41,-6.75,;8.1,-7.53,;6.78,-6.79,;6.76,-5.25,;8.07,-4.48,;9.4,-5.22,;5.44,-4.5,;6.19,-3.16,;4.34,-3.41,;4.11,-5.28,;4.14,-6.8,;2.79,-4.53,;3.71,-3.24,;1.94,-2.18,;1.94,-.95,;1.01,-1.89,;1.01,-3.44,;-.86,-4.43,;.01,-3.05,;13.37,-7.49,;14.67,-6.71,;16,-7.45,;17.32,-6.67,;16.02,-8.98,;14.7,-9.77,;14.72,-11.29,;13.38,-9.01,)| Show InChI InChI=1S/C38H46N6O/c1-23-16-24(2)18-28(17-23)36-35(25(3)21-39-15-14-26-8-12-33-34(19-26)42-43-41-33)31-20-29(9-13-32(31)40-36)38(4,5)37(45)44-22-27-6-10-30(44)11-7-27/h8-9,12-13,16-20,25,27,30,39-40H,6-7,10-11,14-15,21-22H2,1-5H3,(H,41,42,43)/t25-,27?,30?/m1/s1 | PDB
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110618
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1cnc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:27:29:33.32:35.36,(14.69,-8.66,;14.69,-10.42,;16.2,-11.29,;17.73,-10.42,;19.25,-11.29,;20.77,-10.42,;22.27,-11.29,;22.18,-13.04,;23.65,-14,;25.22,-13.19,;26.85,-13.81,;27.95,-12.43,;26.98,-10.97,;25.3,-11.44,;23.82,-10.5,;13.19,-11.29,;13.2,-12.83,;11.88,-13.6,;10.55,-12.83,;9.25,-13.62,;7.92,-12.88,;7.89,-11.34,;9.22,-10.57,;10.55,-11.32,;6.57,-10.57,;5.48,-9.49,;7.34,-9.24,;5.26,-11.36,;5.27,-12.88,;3.94,-10.6,;4.06,-9.03,;2,-9.01,;1.36,-7.95,;1.04,-9.25,;1.83,-10.57,;.73,-12.4,;.78,-10.76,;14.53,-13.57,;14.53,-15.11,;15.88,-15.86,;15.88,-17.4,;17.19,-15.09,;17.18,-13.55,;18.5,-12.75,;15.83,-12.8,)| Show InChI InChI=1S/C38H46N6O/c1-23-14-24(2)16-28(15-23)35-34(25(3)19-39-13-12-27-17-33-36(40-20-27)42-22-41-33)31-18-29(8-11-32(31)43-35)38(4,5)37(45)44-21-26-6-9-30(44)10-7-26/h8,11,14-18,20,22,25-26,30,39,43H,6-7,9-10,12-13,19,21H2,1-5H3,(H,40,41,42)/t25-,26?,30?/m1/s1 | PDB
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104554
(5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...)Show SMILES C[C@H](CNCCc1ccc(=O)[nH]c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:25:27:31.30:33.34,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,2.63,;17.48,2.63,;15.17,1.3,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;2.15,.54,;-.44,1.23,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-2.82,4.08,;-3.63,2.98,;-3.63,.82,;-5.08,.2,;-4.43,1.7,;8.03,-3.06,;8.5,-4.53,;10.01,-4.85,;10.48,-6.31,;11.04,-3.71,;10.57,-2.24,;11.6,-1.1,;9.06,-1.91,)| Show InChI InChI=1S/C37H46N4O2/c1-23-16-24(2)18-28(17-23)35-34(25(3)20-38-15-14-26-8-13-33(42)39-21-26)31-19-29(9-12-32(31)40-35)37(4,5)36(43)41-22-27-6-10-30(41)11-7-27/h8-9,12-13,16-19,21,25,27,30,38,40H,6-7,10-11,14-15,20,22H2,1-5H3,(H,39,42)/t25-,27?,30?/m1/s1 | PDB
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta... |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110618
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1cnc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:27:29:33.32:35.36,(14.69,-8.66,;14.69,-10.42,;16.2,-11.29,;17.73,-10.42,;19.25,-11.29,;20.77,-10.42,;22.27,-11.29,;22.18,-13.04,;23.65,-14,;25.22,-13.19,;26.85,-13.81,;27.95,-12.43,;26.98,-10.97,;25.3,-11.44,;23.82,-10.5,;13.19,-11.29,;13.2,-12.83,;11.88,-13.6,;10.55,-12.83,;9.25,-13.62,;7.92,-12.88,;7.89,-11.34,;9.22,-10.57,;10.55,-11.32,;6.57,-10.57,;5.48,-9.49,;7.34,-9.24,;5.26,-11.36,;5.27,-12.88,;3.94,-10.6,;4.06,-9.03,;2,-9.01,;1.36,-7.95,;1.04,-9.25,;1.83,-10.57,;.73,-12.4,;.78,-10.76,;14.53,-13.57,;14.53,-15.11,;15.88,-15.86,;15.88,-17.4,;17.19,-15.09,;17.18,-13.55,;18.5,-12.75,;15.83,-12.8,)| Show InChI InChI=1S/C38H46N6O/c1-23-14-24(2)16-28(15-23)35-34(25(3)19-39-13-12-27-17-33-36(40-20-27)42-22-41-33)31-18-29(8-11-32(31)43-35)38(4,5)37(45)44-21-26-6-9-30(44)10-7-26/h8,11,14-18,20,22,25-26,30,39,43H,6-7,9-10,12-13,19,21H2,1-5H3,(H,40,41,42)/t25-,26?,30?/m1/s1 | PDB
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104549
(5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...)Show SMILES COCn1cc(CCNC[C@@H](C)c2c([nH]c3ccc(cc23)C(C)(C)C(=O)N2CC3CCC2CC3)-c2cc(C)cc(C)c2)ccc1=O |wD:10.10,TLB:24:26:30.29:32.33,(18.23,-1.38,;17.46,-.05,;15.92,-.03,;15.17,1.3,;13.63,1.31,;12.86,2.65,;11.32,2.65,;10.55,1.32,;9.01,1.33,;8.24,,;6.7,.02,;5.93,1.35,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;8.5,-4.53,;10.01,-4.85,;10.48,-6.31,;11.04,-3.71,;10.57,-2.24,;11.6,-1.1,;9.06,-1.91,;13.63,3.98,;15.17,3.98,;15.94,2.63,;17.48,2.63,)| Show InChI InChI=1S/C39H50N4O3/c1-25-17-26(2)19-30(18-25)37-36(27(3)21-40-16-15-29-9-14-35(44)42(22-29)24-46-6)33-20-31(10-13-34(33)41-37)39(4,5)38(45)43-23-28-7-11-32(43)12-8-28/h9-10,13-14,17-20,22,27-28,32,40-41H,7-8,11-12,15-16,21,23-24H2,1-6H3/t27-,28?,32?/m1/s1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin. |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110619
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...)Show SMILES C[C@H](CNCCCCc1cnc2nccnc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:30:32:37.38:34.35| Show InChI InChI=1S/C40H48N6O/c1-25-18-26(2)20-29(19-25)37-36(27(3)23-41-15-7-6-8-28-21-35-38(44-24-28)43-17-16-42-35)33-22-30(9-14-34(33)45-37)40(4,5)39(47)46-31-10-11-32(46)13-12-31/h9,14,16-22,24,27,31-32,41,45H,6-8,10-13,15,23H2,1-5H3/t27-,31?,32?/m1/s1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110611
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-{(S)-2-[2-(...)Show SMILES C[C@H](CNCCc1ccc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:27:29:34.35:31.32| Show InChI InChI=1S/C38H45N5O/c1-23-16-24(2)18-27(17-23)36-35(25(3)21-39-15-14-26-6-12-33-34(19-26)41-22-40-33)31-20-28(7-13-32(31)42-36)38(4,5)37(44)43-29-8-9-30(43)11-10-29/h6-7,12-13,16-20,22,25,29-30,39,42H,8-11,14-15,21H2,1-5H3,(H,40,41)/t25-,29?,30?/m1/s1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104564
(1-(1S,4R)-2-Aza-bicyclo[2.2.1]hept-2-yl-2-{2-(3,5-...)Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C[C@@H]2CC[C@H]1C2)-c1cc(C)cc(C)c1 |TLB:26:28:34:32.31| Show InChI InChI=1S/C38H48N4O/c1-25-18-26(2)20-30(19-25)36-35(27(3)23-40-15-7-6-8-28-13-16-39-17-14-28)33-22-31(10-12-34(33)41-36)38(4,5)37(43)42-24-29-9-11-32(42)21-29/h10,12-14,16-20,22,27,29,32,40-41H,6-9,11,15,21,23-24H2,1-5H3/t27-,29-,32+/m1/s1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin. |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104551
(5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...)Show SMILES C[C@H](CNCCC1CCC(=O)N(C)C1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:26:28:32.31:34.35,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,2.63,;17.48,2.63,;15.17,1.3,;15.92,-.03,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;9.06,-1.91,;10.57,-2.24,;11.6,-1.1,;11.04,-3.71,;10.01,-4.85,;10.48,-6.31,;8.5,-4.53,)| Show InChI InChI=1S/C38H52N4O2/c1-24-17-25(2)19-29(18-24)36-35(26(3)21-39-16-15-28-9-14-34(43)41(6)22-28)32-20-30(10-13-33(32)40-36)38(4,5)37(44)42-23-27-7-11-31(42)12-8-27/h10,13,17-20,26-28,31,39-40H,7-9,11-12,14-16,21-23H2,1-6H3/t26-,27?,28?,31?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin. |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110627
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimeth...)Show SMILES C[C@H](CNCCc1cnc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:27:29:34.35:31.32| Show InChI InChI=1S/C37H44N6O/c1-22-14-23(2)16-26(15-22)34-33(24(3)19-38-13-12-25-17-32-35(39-20-25)41-21-40-32)30-18-27(6-11-31(30)42-34)37(4,5)36(44)43-28-7-8-29(43)10-9-28/h6,11,14-18,20-21,24,28-29,38,42H,7-10,12-13,19H2,1-5H3,(H,39,40,41)/t24-,28?,29?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110600
(5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...)Show SMILES C[C@H](CNCCc1ccc2nc([nH]c2c1)C(O)=O)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.53,-2.59,;13.53,-4.34,;15.04,-5.21,;16.54,-4.34,;18.05,-5.21,;19.58,-4.34,;21.07,-5.22,;21.09,-6.97,;22.6,-7.81,;24.08,-6.94,;25.74,-7.47,;26.76,-6.07,;25.75,-4.67,;24.08,-5.21,;22.58,-4.34,;28.5,-6.07,;29.37,-7.59,;29.39,-4.56,;12.02,-5.21,;12.04,-6.73,;10.72,-7.51,;9.4,-6.75,;8.1,-7.52,;6.77,-6.78,;6.76,-5.25,;8.07,-4.48,;9.39,-5.22,;5.43,-4.5,;4.34,-3.41,;6.19,-3.16,;4.11,-5.27,;4.14,-6.8,;2.79,-4.52,;3.7,-3.24,;1.94,-2.18,;.01,-3.05,;-.86,-4.43,;1.01,-3.44,;1.01,-1.89,;1.94,-.95,;13.36,-7.49,;13.37,-9,;14.69,-9.76,;14.71,-11.28,;16.01,-8.98,;15.99,-7.44,;17.31,-6.67,;14.67,-6.7,)| Show InChI InChI=1S/C40H47N5O3/c1-23-16-24(2)18-28(17-23)36-35(25(3)21-41-15-14-26-8-12-33-34(19-26)44-37(43-33)38(46)47)31-20-29(9-13-32(31)42-36)40(4,5)39(48)45-22-27-6-10-30(45)11-7-27/h8-9,12-13,16-20,25,27,30,41-42H,6-7,10-11,14-15,21-22H2,1-5H3,(H,43,44)(H,46,47)/t25-,27?,30?/m1/s1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110599
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimeth...)Show SMILES C[C@H](CNCCCCc1cnc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:29:31:36.37:33.34| Show InChI InChI=1S/C39H48N6O/c1-24-16-25(2)18-28(17-24)36-35(26(3)21-40-15-7-6-8-27-19-34-37(41-22-27)43-23-42-34)32-20-29(9-14-33(32)44-36)39(4,5)38(46)45-30-10-11-31(45)13-12-30/h9,14,16-20,22-23,26,30-31,40,44H,6-8,10-13,15,21H2,1-5H3,(H,41,42,43)/t26-,30?,31?/m1/s1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110627
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimeth...)Show SMILES C[C@H](CNCCc1cnc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:27:29:34.35:31.32| Show InChI InChI=1S/C37H44N6O/c1-22-14-23(2)16-26(15-22)34-33(24(3)19-38-13-12-25-17-32-35(39-20-25)41-21-40-32)30-18-27(6-11-31(30)42-34)37(4,5)36(44)43-28-7-8-29(43)10-9-28/h6,11,14-18,20-21,24,28-29,38,42H,7-10,12-13,19H2,1-5H3,(H,39,40,41)/t24-,28?,29?/m1/s1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110613
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimeth...)Show SMILES C[C@H](CNCCc1ccc2nc(C)[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:28:30:32.33:36.35| Show InChI InChI=1S/C39H47N5O/c1-23-17-24(2)19-28(18-23)37-36(25(3)22-40-16-15-27-7-13-34-35(20-27)42-26(4)41-34)32-21-29(8-14-33(32)43-37)39(5,6)38(45)44-30-9-10-31(44)12-11-30/h7-8,13-14,17-21,25,30-31,40,43H,9-12,15-16,22H2,1-6H3,(H,41,42)/t25-,30?,31?/m1/s1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110597
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-[(S)-2-(2-b...)Show SMILES C[C@H](CNCCc1ccc2ncoc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:27:29:34.35:31.32| Show InChI InChI=1S/C38H44N4O2/c1-23-16-24(2)18-27(17-23)36-35(25(3)21-39-15-14-26-6-12-33-34(19-26)44-22-40-33)31-20-28(7-13-32(31)41-36)38(4,5)37(43)42-29-8-9-30(42)11-10-29/h6-7,12-13,16-20,22,25,29-30,39,41H,8-11,14-15,21H2,1-5H3/t25-,29?,30?/m1/s1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50098391
((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O |r| Show InChI InChI=1S/C28H28ClN5O3/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-6-19-4-8-31-19)21-12-20(22(29)13-23(21)33-28(25)36)27(35)34-24-5-7-30-14-32-24/h5,7,10-14,19,31H,4,6,8-9H2,1-3H3,(H,33,36)(H,30,32,34,35)/t19-/m0/s1 | PDB
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| n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of binding of the compound to GnRH receptor in human |
J Med Chem 44: 917-22 (2001)
BindingDB Entry DOI: 10.7270/Q2H70F3D |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110614
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[3-[(S)-2-(2-be...)Show SMILES C[C@H](CNCCc1ccc2nsnc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(14.68,-8.52,;14.68,-10.28,;16.19,-11.15,;17.72,-10.28,;19.23,-11.15,;20.75,-10.28,;22.26,-11.17,;22.27,-12.92,;23.78,-13.78,;25.28,-12.89,;26.94,-13.43,;27.96,-12.03,;26.94,-10.61,;25.28,-11.15,;23.77,-10.28,;13.18,-11.15,;13.19,-12.69,;11.87,-13.46,;10.54,-12.69,;9.24,-13.48,;7.91,-12.73,;7.89,-11.2,;9.21,-10.43,;10.54,-11.18,;6.56,-10.43,;5.47,-9.35,;7.33,-9.1,;5.25,-11.22,;5.26,-12.74,;3.93,-10.46,;4.7,-9.1,;2.85,-8.22,;1.01,-9.29,;.27,-10.75,;2.03,-9.56,;1.87,-8.02,;2.71,-6.99,;14.52,-13.43,;15.82,-12.66,;17.16,-13.41,;18.49,-12.61,;17.17,-14.94,;15.86,-15.71,;15.87,-17.25,;14.52,-14.97,)| Show InChI InChI=1S/C38H45N5OS/c1-23-16-24(2)18-28(17-23)36-35(25(3)21-39-15-14-26-8-12-33-34(19-26)42-45-41-33)31-20-29(9-13-32(31)40-36)38(4,5)37(44)43-22-27-6-10-30(43)11-7-27/h8-9,12-13,16-20,25,27,30,39-40H,6-7,10-11,14-15,21-22H2,1-5H3/t25-,27?,30?/m1/s1 | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50098391
((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O |r| Show InChI InChI=1S/C28H28ClN5O3/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-6-19-4-8-31-19)21-12-20(22(29)13-23(21)33-28(25)36)27(35)34-24-5-7-30-14-32-24/h5,7,10-14,19,31H,4,6,8-9H2,1-3H3,(H,33,36)(H,30,32,34,35)/t19-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gonadotropin-releasing hormone receptor in rhesus monkey |
J Med Chem 44: 917-22 (2001)
BindingDB Entry DOI: 10.7270/Q2H70F3D |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110593
(5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...)Show SMILES C[C@H](CNCCc1ccc2[nH]c(=O)[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.53,-2.59,;13.53,-4.34,;15.04,-5.21,;16.54,-4.34,;18.05,-5.21,;19.58,-4.34,;21.07,-5.22,;21.09,-6.97,;22.6,-7.81,;24.08,-6.94,;25.74,-7.47,;26.76,-6.07,;28.5,-6.07,;25.75,-4.67,;24.08,-5.21,;22.58,-4.34,;12.02,-5.21,;12.04,-6.73,;10.72,-7.51,;9.4,-6.75,;8.1,-7.52,;6.77,-6.78,;6.76,-5.25,;8.07,-4.48,;9.39,-5.22,;5.43,-4.5,;4.34,-3.41,;6.19,-3.16,;4.11,-5.27,;4.14,-6.8,;2.79,-4.52,;3.7,-3.24,;1.94,-2.18,;.01,-3.05,;-.86,-4.43,;1.01,-3.44,;1.01,-1.89,;1.94,-.95,;13.36,-7.49,;13.37,-9,;14.69,-9.76,;14.71,-11.28,;16.01,-8.98,;15.99,-7.44,;17.31,-6.67,;14.67,-6.7,)| Show InChI InChI=1S/C39H47N5O2/c1-23-16-24(2)18-28(17-23)36-35(25(3)21-40-15-14-26-8-12-33-34(19-26)43-38(46)42-33)31-20-29(9-13-32(31)41-36)39(4,5)37(45)44-22-27-6-10-30(44)11-7-27/h8-9,12-13,16-20,25,27,30,40-41H,6-7,10-11,14-15,21-22H2,1-5H3,(H2,42,43,46)/t25-,27?,30?/m1/s1 | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104542
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-{2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1cccnc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:24:26:30.29:32.33,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,2.63,;15.17,1.3,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;9.06,-1.91,;10.57,-2.24,;11.6,-1.1,;11.04,-3.71,;10.01,-4.85,;10.48,-6.31,;8.5,-4.53,)| Show InChI InChI=1S/C37H46N4O/c1-24-17-25(2)19-29(18-24)35-34(26(3)21-39-16-14-27-7-6-15-38-22-27)32-20-30(10-13-33(32)40-35)37(4,5)36(42)41-23-28-8-11-31(41)12-9-28/h6-7,10,13,15,17-20,22,26,28,31,39-40H,8-9,11-12,14,16,21,23H2,1-5H3/t26-,28?,31?/m1/s1 | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta... |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104552
((S)-1-(2-aza-bicyclo[2.2.2]octan-2-yl)-2-(2-(3,5-d...)Show SMILES C[C@H](CNCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |r,wD:1.0,TLB:24:26:29.30:33.32,(25.26,-8.15,;26.29,-9.29,;27.8,-8.96,;28.26,-7.49,;29.77,-7.16,;30.24,-5.69,;31.74,-5.37,;32.77,-6.5,;34.27,-6.18,;34.74,-4.71,;33.7,-3.57,;32.2,-3.9,;25.83,-10.75,;26.74,-12,;25.84,-13.25,;24.37,-12.78,;23.03,-13.56,;21.7,-12.79,;21.7,-11.25,;23.03,-10.48,;24.36,-11.24,;20.36,-10.48,;21.13,-9.14,;19.6,-11.81,;19.02,-9.71,;19.02,-8.17,;17.69,-10.48,;16.41,-9.46,;14.8,-9.85,;13.82,-8.69,;14.04,-10.08,;15.23,-11.49,;14.85,-12.73,;14.16,-11.3,;28.28,-11.99,;29.03,-10.65,;30.57,-10.64,;31.33,-9.3,;31.36,-11.97,;30.59,-13.31,;31.37,-14.64,;29.05,-13.32,)| Show InChI InChI=1S/C37H46N4O/c1-24-18-25(2)20-29(19-24)35-34(26(3)22-39-17-14-27-12-15-38-16-13-27)32-21-30(8-11-33(32)40-35)37(4,5)36(42)41-23-28-6-9-31(41)10-7-28/h8,11-13,15-16,18-21,26,28,31,39-40H,6-7,9-10,14,17,22-23H2,1-5H3/t26-,28?,31?/m1/s1 | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin. |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110593
(5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...)Show SMILES C[C@H](CNCCc1ccc2[nH]c(=O)[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.53,-2.59,;13.53,-4.34,;15.04,-5.21,;16.54,-4.34,;18.05,-5.21,;19.58,-4.34,;21.07,-5.22,;21.09,-6.97,;22.6,-7.81,;24.08,-6.94,;25.74,-7.47,;26.76,-6.07,;28.5,-6.07,;25.75,-4.67,;24.08,-5.21,;22.58,-4.34,;12.02,-5.21,;12.04,-6.73,;10.72,-7.51,;9.4,-6.75,;8.1,-7.52,;6.77,-6.78,;6.76,-5.25,;8.07,-4.48,;9.39,-5.22,;5.43,-4.5,;4.34,-3.41,;6.19,-3.16,;4.11,-5.27,;4.14,-6.8,;2.79,-4.52,;3.7,-3.24,;1.94,-2.18,;.01,-3.05,;-.86,-4.43,;1.01,-3.44,;1.01,-1.89,;1.94,-.95,;13.36,-7.49,;13.37,-9,;14.69,-9.76,;14.71,-11.28,;16.01,-8.98,;15.99,-7.44,;17.31,-6.67,;14.67,-6.7,)| Show InChI InChI=1S/C39H47N5O2/c1-23-16-24(2)18-28(17-23)36-35(25(3)21-40-15-14-26-8-12-33-34(19-26)43-38(46)42-33)31-20-29(9-13-32(31)41-36)39(4,5)37(45)44-22-27-6-10-30(44)11-7-27/h8-9,12-13,16-20,25,27,30,40-41H,6-7,10-11,14-15,21-22H2,1-5H3,(H2,42,43,46)/t25-,27?,30?/m1/s1 | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110620
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1cnc2nn[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.54,-2.6,;13.54,-4.34,;15.05,-5.22,;16.56,-4.34,;18.07,-5.22,;19.6,-4.34,;21.09,-5.23,;21.12,-6.98,;22.63,-7.82,;24.11,-6.95,;25.77,-7.48,;26.79,-6.07,;25.78,-4.67,;24.11,-5.22,;22.6,-4.34,;12.03,-5.22,;12.05,-6.74,;10.74,-7.52,;9.41,-6.75,;8.11,-7.53,;6.78,-6.79,;6.76,-5.25,;8.08,-4.49,;9.4,-5.23,;5.44,-4.5,;6.2,-3.16,;4.34,-3.42,;4.11,-5.28,;4.14,-6.81,;2.79,-4.53,;3.71,-3.24,;1.94,-2.18,;1.94,-.95,;1.01,-1.89,;1.01,-3.44,;-.87,-4.43,;.01,-3.06,;13.38,-7.5,;14.68,-6.71,;16.01,-7.45,;17.33,-6.68,;16.03,-8.99,;14.71,-9.77,;14.73,-11.29,;13.39,-9.02,)| Show InChI InChI=1S/C37H45N7O/c1-22-14-23(2)16-27(15-22)34-33(24(3)19-38-13-12-26-17-32-35(39-20-26)42-43-41-32)30-18-28(8-11-31(30)40-34)37(4,5)36(45)44-21-25-6-9-29(44)10-7-25/h8,11,14-18,20,24-25,29,38,40H,6-7,9-10,12-13,19,21H2,1-5H3,(H,39,41,42,43)/t24-,25?,29?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110595
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[3-[(S)-2-(2-be...)Show SMILES C[C@H](CNCCc1ccc2ncoc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:27:29:33.32:35.36,(14.68,-8.52,;14.68,-10.28,;16.19,-11.15,;17.72,-10.28,;19.23,-11.15,;20.75,-10.28,;22.26,-11.17,;22.27,-12.92,;23.78,-13.78,;25.28,-12.89,;26.94,-13.43,;27.96,-12.03,;26.94,-10.61,;25.28,-11.15,;23.77,-10.28,;13.18,-11.15,;13.19,-12.69,;11.87,-13.46,;10.54,-12.69,;9.24,-13.48,;7.91,-12.73,;7.89,-11.2,;9.21,-10.43,;10.54,-11.18,;6.56,-10.43,;7.33,-9.1,;5.47,-9.35,;5.25,-11.22,;5.26,-12.74,;3.93,-10.46,;3.9,-8.9,;1.86,-9.08,;1.11,-8.09,;.91,-9.4,;1.84,-10.65,;.91,-12.57,;.8,-10.94,;14.52,-13.43,;15.82,-12.66,;17.16,-13.41,;18.49,-12.61,;17.17,-14.94,;15.86,-15.71,;15.87,-17.25,;14.52,-14.97,)| Show InChI InChI=1S/C39H46N4O2/c1-24-16-25(2)18-29(17-24)37-36(26(3)21-40-15-14-27-8-12-34-35(19-27)45-23-41-34)32-20-30(9-13-33(32)42-37)39(4,5)38(44)43-22-28-6-10-31(43)11-7-28/h8-9,12-13,16-20,23,26,28,31,40,42H,6-7,10-11,14-15,21-22H2,1-5H3/t26-,28?,31?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110596
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...)Show SMILES C[C@H](CNCCc1cccc2cnccc12)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:28:30:35.36:32.33| Show InChI InChI=1S/C40H46N4O/c1-25-19-26(2)21-30(20-25)38-37(27(3)23-41-17-15-28-7-6-8-29-24-42-18-16-34(28)29)35-22-31(9-14-36(35)43-38)40(4,5)39(45)44-32-10-11-33(44)13-12-32/h6-9,14,16,18-22,24,27,32-33,41,43H,10-13,15,17,23H2,1-5H3/t27-,32?,33?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104546
(2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-py...)Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CCC2(CC1)OCCO2)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C39H50N4O3/c1-27-22-28(2)24-31(23-27)36-35(29(3)26-41-15-7-6-8-30-11-16-40-17-12-30)33-25-32(9-10-34(33)42-36)38(4,5)37(44)43-18-13-39(14-19-43)45-20-21-46-39/h9-12,16-17,22-25,29,41-42H,6-8,13-15,18-21,26H2,1-5H3/t29-/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin. |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110606
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-{(S)-2-[2-(...)Show SMILES C[C@H](CNCCc1ccc2nn[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:27:29:31.32:35.34| Show InChI InChI=1S/C37H44N6O/c1-22-16-23(2)18-26(17-22)35-34(24(3)21-38-15-14-25-6-12-32-33(19-25)41-42-40-32)30-20-27(7-13-31(30)39-35)37(4,5)36(44)43-28-8-9-29(43)11-10-28/h6-7,12-13,16-20,24,28-29,38-39H,8-11,14-15,21H2,1-5H3,(H,40,41,42)/t24-,28?,29?/m1/s1 | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110594
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimeth...)Show SMILES C[C@H](CNCCCCc1ccnc2nc(C)ccc12)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:31:33:38.39:35.36| Show InChI InChI=1S/C42H51N5O/c1-26-21-27(2)23-31(22-26)39-38(28(3)25-43-19-8-7-9-30-18-20-44-40-35(30)16-10-29(4)45-40)36-24-32(11-17-37(36)46-39)42(5,6)41(48)47-33-12-13-34(47)15-14-33/h10-11,16-18,20-24,28,33-34,43,46H,7-9,12-15,19,25H2,1-6H3/t28-,33?,34?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104540
(5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...)Show SMILES C[C@H](CNCCc1cc(C)c(=O)n(C)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:27:29:33.32:35.36,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,5.31,;15.94,2.63,;17.48,2.63,;15.17,1.3,;15.92,-.03,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;2.15,.54,;-.44,1.23,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;8.5,-4.53,;10.01,-4.85,;10.48,-6.31,;11.04,-3.71,;10.57,-2.24,;11.6,-1.1,;9.06,-1.91,)| Show InChI InChI=1S/C39H50N4O2/c1-24-16-25(2)18-30(17-24)36-35(27(4)21-40-15-14-29-19-26(3)37(44)42(7)22-29)33-20-31(10-13-34(33)41-36)39(5,6)38(45)43-23-28-8-11-32(43)12-9-28/h10,13,16-20,22,27-28,32,40-41H,8-9,11-12,14-15,21,23H2,1-7H3/t27-,28?,32?/m1/s1 | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin. |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110602
(5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...)Show SMILES C[C@H](CNCCc1ccc2[nH]c(=O)[nH]c2c1F)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.53,-2.59,;13.53,-4.34,;15.04,-5.21,;16.54,-4.34,;18.05,-5.21,;19.58,-4.34,;21.07,-5.22,;21.09,-6.97,;22.6,-7.81,;24.08,-6.94,;25.74,-7.47,;26.76,-6.07,;28.5,-6.07,;25.75,-4.67,;24.08,-5.21,;22.58,-4.34,;22.58,-2.59,;12.02,-5.21,;12.04,-6.73,;10.72,-7.51,;9.4,-6.75,;8.1,-7.52,;6.77,-6.78,;6.76,-5.25,;8.07,-4.48,;9.39,-5.22,;5.43,-4.5,;6.19,-3.16,;4.34,-3.41,;4.11,-5.27,;4.14,-6.8,;2.79,-4.52,;3.7,-3.24,;1.94,-2.18,;1.94,-.95,;1.01,-1.89,;1.01,-3.44,;-.86,-4.43,;.01,-3.05,;13.36,-7.49,;13.37,-9,;14.69,-9.76,;14.71,-11.28,;16.01,-8.98,;15.99,-7.44,;17.31,-6.67,;14.67,-6.7,)| Show InChI InChI=1S/C39H46FN5O2/c1-22-16-23(2)18-27(17-22)35-33(24(3)20-41-15-14-26-8-12-32-36(34(26)40)44-38(47)43-32)30-19-28(9-13-31(30)42-35)39(4,5)37(46)45-21-25-6-10-29(45)11-7-25/h8-9,12-13,16-19,24-25,29,41-42H,6-7,10-11,14-15,20-21H2,1-5H3,(H2,43,44,47)/t24-,25?,29?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110607
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1ccc2nc(CO)[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.53,-2.59,;13.53,-4.34,;15.04,-5.21,;16.54,-4.34,;18.05,-5.21,;19.58,-4.34,;21.07,-5.22,;21.09,-6.97,;22.6,-7.81,;24.08,-6.94,;25.74,-7.47,;26.76,-6.07,;28.5,-6.07,;29.37,-7.59,;25.75,-4.67,;24.08,-5.21,;22.58,-4.34,;12.02,-5.21,;12.04,-6.73,;10.72,-7.51,;9.4,-6.75,;8.1,-7.52,;6.77,-6.78,;6.76,-5.25,;8.07,-4.48,;9.39,-5.22,;5.43,-4.5,;4.34,-3.41,;6.19,-3.16,;4.11,-5.27,;4.14,-6.8,;2.79,-4.52,;3.7,-3.24,;1.94,-2.18,;1.94,-.95,;1.01,-1.89,;1.01,-3.44,;-.86,-4.43,;.01,-3.05,;13.36,-7.49,;14.67,-6.7,;15.99,-7.44,;17.31,-6.67,;16.01,-8.98,;14.69,-9.76,;14.71,-11.28,;13.37,-9,)| Show InChI InChI=1S/C40H49N5O2/c1-24-16-25(2)18-29(17-24)38-37(26(3)21-41-15-14-27-8-12-34-35(19-27)43-36(23-46)42-34)32-20-30(9-13-33(32)44-38)40(4,5)39(47)45-22-28-6-10-31(45)11-7-28/h8-9,12-13,16-20,26,28,31,41,44,46H,6-7,10-11,14-15,21-23H2,1-5H3,(H,42,43)/t26-,28?,31?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110592
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...)Show SMILES C[C@H](CNCCCc1ccc2cnccc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:29:31:33.34:37.36| Show InChI InChI=1S/C41H48N4O/c1-26-19-27(2)21-32(20-26)39-38(28(3)24-42-17-6-7-29-8-9-31-25-43-18-16-30(31)22-29)36-23-33(10-15-37(36)44-39)41(4,5)40(46)45-34-11-12-35(45)14-13-34/h8-10,15-16,18-23,25,28,34-35,42,44H,6-7,11-14,17,24H2,1-5H3/t28-,34?,35?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104543
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...)Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:26:28:30.31:33.34| Show InChI InChI=1S/C38H48N4O/c1-25-20-26(2)22-29(21-25)36-35(27(3)24-40-17-7-6-8-28-15-18-39-19-16-28)33-23-30(9-14-34(33)41-36)38(4,5)37(43)42-31-10-11-32(42)13-12-31/h9,14-16,18-23,27,31-32,40-41H,6-8,10-13,17,24H2,1-5H3/t27-,31?,32?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin. |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104558
(1-(3,3-Dimethyl-azetidin-1-yl)-2-{2-(3,5-dimethyl-...)Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC(C)(C)C1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C37H48N4O/c1-25-18-26(2)20-29(19-25)34-33(27(3)22-39-15-9-8-10-28-13-16-38-17-14-28)31-21-30(11-12-32(31)40-34)37(6,7)35(42)41-23-36(4,5)24-41/h11-14,16-21,27,39-40H,8-10,15,22-24H2,1-7H3/t27-/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin. |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104543
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...)Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:26:28:30.31:33.34| Show InChI InChI=1S/C38H48N4O/c1-25-20-26(2)22-29(21-25)36-35(27(3)24-40-17-7-6-8-28-15-18-39-19-16-28)33-23-30(9-14-34(33)41-36)38(4,5)37(43)42-31-10-11-32(42)13-12-31/h9,14-16,18-23,27,31-32,40-41H,6-8,10-13,17,24H2,1-5H3/t27-,31?,32?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110622
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...)Show SMILES C[C@H](CNCCCc1cnc2nccnc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:29:31:36.37:33.34| Show InChI InChI=1S/C39H46N6O/c1-24-17-25(2)19-28(18-24)36-35(26(3)22-40-14-6-7-27-20-34-37(43-23-27)42-16-15-41-34)32-21-29(8-13-33(32)44-36)39(4,5)38(46)45-30-9-10-31(45)12-11-30/h8,13,15-21,23,26,30-31,40,44H,6-7,9-12,14,22H2,1-5H3/t26-,30?,31?/m1/s1 | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104562
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...)Show SMILES C[C@H](CNCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:24:26:31.32:28.29| Show InChI InChI=1S/C36H44N4O/c1-23-18-24(2)20-27(19-23)34-33(25(3)22-38-17-14-26-12-15-37-16-13-26)31-21-28(6-11-32(31)39-34)36(4,5)35(41)40-29-7-8-30(40)10-9-29/h6,11-13,15-16,18-21,25,29-30,38-39H,7-10,14,17,22H2,1-5H3/t25-,29?,30?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta... |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104557
(1-(8-Aza-bicyclo[3.2.1]oct-8-yl)-2-{2-(3,5-dimethy...)Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CCC2)-c1cc(C)cc(C)c1 |THB:26:28:30.31:34.35.33| Show InChI InChI=1S/C39H50N4O/c1-26-21-27(2)23-30(22-26)37-36(28(3)25-41-18-7-6-9-29-16-19-40-20-17-29)34-24-31(12-15-35(34)42-37)39(4,5)38(44)43-32-10-8-11-33(43)14-13-32/h12,15-17,19-24,28,32-33,41-42H,6-11,13-14,18,25H2,1-5H3/t28-,32?,33?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin. |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110612
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1ccc2nc([nH]c2c1)C(F)(F)F)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(4.55,1.53,;4.55,-.22,;6.06,-1.1,;7.58,-.22,;9.09,-1.1,;10.62,-.22,;12.11,-1.12,;12.14,-2.88,;13.65,-3.73,;15.14,-2.85,;16.8,-3.38,;17.82,-1.97,;16.81,-.57,;15.14,-1.1,;13.63,-.22,;19.57,-1.97,;21.51,-1.91,;19.54,-3.57,;19.54,.02,;3.04,-1.1,;3.05,-2.64,;1.73,-3.41,;.41,-2.64,;-.9,-3.43,;-2.23,-2.69,;-2.25,-1.15,;-.93,-.38,;.4,-1.12,;-3.58,-.38,;-2.81,.95,;-4.67,.71,;-4.9,-1.15,;-4.88,-2.69,;-6.23,-.41,;-5.31,.87,;-7.08,1.93,;-7.08,3.18,;-8.02,2.22,;-8.02,.68,;-9.89,-.33,;-9.02,1.05,;4.38,-3.38,;5.69,-2.61,;7.02,-3.35,;8.34,-2.56,;7.04,-4.89,;5.72,-5.66,;5.73,-7.2,;4.39,-4.92,)| Show InChI InChI=1S/C40H46F3N5O/c1-23-16-24(2)18-28(17-23)36-35(25(3)21-44-15-14-26-8-12-33-34(19-26)47-37(46-33)40(41,42)43)31-20-29(9-13-32(31)45-36)39(4,5)38(49)48-22-27-6-10-30(48)11-7-27/h8-9,12-13,16-20,25,27,30,44-45H,6-7,10-11,14-15,21-22H2,1-5H3,(H,46,47)/t25-,27?,30?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110603
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...)Show SMILES C[C@H](CNCCCc1cccc2cnccc12)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:29:31:36.37:33.34| Show InChI InChI=1S/C41H48N4O/c1-26-20-27(2)22-31(21-26)39-38(28(3)24-42-18-7-10-29-8-6-9-30-25-43-19-17-35(29)30)36-23-32(11-16-37(36)44-39)41(4,5)40(46)45-33-12-13-34(45)15-14-33/h6,8-9,11,16-17,19-23,25,28,33-34,42,44H,7,10,12-15,18,24H2,1-5H3/t28-,33?,34?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104561
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES COc1ccc(CCNC[C@@H](C)c2c([nH]c3ccc(cc23)C(C)(C)C(=O)N2CC3CCC2CC3)-c2cc(C)cc(C)c2)cn1 |wD:10.10,TLB:24:26:30.29:32.33,(18.25,3.96,;17.48,2.63,;15.94,2.63,;15.17,3.98,;13.63,3.98,;12.86,2.65,;11.32,2.65,;10.55,1.32,;9.01,1.33,;8.24,,;6.7,.02,;5.93,1.35,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;8.5,-4.53,;10.01,-4.85,;10.48,-6.31,;11.04,-3.71,;10.57,-2.24,;11.6,-1.1,;9.06,-1.91,;13.63,1.31,;15.17,1.3,)| Show InChI InChI=1S/C38H48N4O2/c1-24-17-25(2)19-29(18-24)36-35(26(3)21-39-16-15-27-9-14-34(44-6)40-22-27)32-20-30(10-13-33(32)41-36)38(4,5)37(43)42-23-28-7-11-31(42)12-8-28/h9-10,13-14,17-20,22,26,28,31,39,41H,7-8,11-12,15-16,21,23H2,1-6H3/t26-,28?,31?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta... |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104538
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-{2-(3,5-dimethy...)Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:26:28:32.31:34.35,(5.75,.3,;6.52,-1.03,;8.06,-1.05,;8.83,.28,;10.37,.27,;11.14,1.6,;12.68,1.6,;13.46,2.93,;15,2.92,;15.78,4.25,;17.32,4.25,;18.09,2.92,;17.31,1.58,;15.76,1.58,;5.74,-2.36,;6.35,-3.78,;5.21,-4.79,;3.88,-4.02,;2.43,-4.49,;1.29,-3.46,;1.62,-1.96,;3.08,-1.49,;4.21,-2.53,;.47,-.92,;1.97,-.51,;-.62,.18,;-1,-1.38,;-1.32,-2.89,;-2.22,-.45,;-1.82,1.04,;-3.33,1.45,;-3.33,2.99,;-4.15,2.22,;-4.15,,;-5.2,-.45,;-4.81,1.04,;7.85,-4.11,;8.31,-5.58,;9.83,-5.9,;10.3,-7.36,;10.86,-4.76,;10.39,-3.29,;11.42,-2.15,;8.89,-2.96,)| Show InChI InChI=1S/C39H50N4O/c1-26-20-27(2)22-31(21-26)37-36(28(3)24-41-17-7-6-8-29-15-18-40-19-16-29)34-23-32(11-14-35(34)42-37)39(4,5)38(44)43-25-30-9-12-33(43)13-10-30/h11,14-16,18-23,28,30,33,41-42H,6-10,12-13,17,24-25H2,1-5H3/t28-,30?,33?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin. |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104555
(1-(1R,4S)-2-Aza-bicyclo[2.2.1]hept-2-yl-2-{2-(3,5-...)Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C[C@H]2CC[C@@H]1C2)-c1cc(C)cc(C)c1 |TLB:26:28:34:32.31| Show InChI InChI=1S/C38H48N4O/c1-25-18-26(2)20-30(19-25)36-35(27(3)23-40-15-7-6-8-28-13-16-39-17-14-28)33-22-31(10-12-34(33)41-36)38(4,5)37(43)42-24-29-9-11-32(42)21-29/h10,12-14,16-20,22,27,29,32,40-41H,6-9,11,15,21,23-24H2,1-5H3/t27-,29+,32-/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin. |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104554
(5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...)Show SMILES C[C@H](CNCCc1ccc(=O)[nH]c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:25:27:31.30:33.34,(5.93,1.35,;6.7,.02,;8.24,,;9.01,1.33,;10.55,1.32,;11.32,2.65,;12.86,2.65,;13.63,3.98,;15.17,3.98,;15.94,2.63,;17.48,2.63,;15.17,1.3,;13.63,1.31,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;2.15,.54,;-.44,1.23,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-2.82,4.08,;-3.63,2.98,;-3.63,.82,;-5.08,.2,;-4.43,1.7,;8.03,-3.06,;8.5,-4.53,;10.01,-4.85,;10.48,-6.31,;11.04,-3.71,;10.57,-2.24,;11.6,-1.1,;9.06,-1.91,)| Show InChI InChI=1S/C37H46N4O2/c1-23-16-24(2)18-28(17-23)35-34(25(3)20-38-15-14-26-8-13-33(42)39-21-26)31-19-29(9-12-32(31)40-35)37(4,5)36(43)41-22-27-6-10-30(41)11-7-27/h8-9,12-13,16-19,21,25,27,30,38,40H,6-7,10-11,14-15,20,22H2,1-5H3,(H,39,42)/t25-,27?,30?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta... |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50098391
((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O |r| Show InChI InChI=1S/C28H28ClN5O3/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-6-19-4-8-31-19)21-12-20(22(29)13-23(21)33-28(25)36)27(35)34-24-5-7-30-14-32-24/h5,7,10-14,19,31H,4,6,8-9H2,1-3H3,(H,33,36)(H,30,32,34,35)/t19-/m0/s1 | PDB
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Curated by ChEMBL
| Assay Description
Functional antagonism at the human GnRH receptor (PI turnover) |
J Med Chem 44: 917-22 (2001)
BindingDB Entry DOI: 10.7270/Q2H70F3D |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110608
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1ccc2[nH]ncc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(14.98,-6.75,;14.98,-8.5,;16.49,-9.37,;18,-8.5,;19.5,-9.37,;21.03,-8.5,;22.52,-9.39,;22.55,-11.14,;24.05,-11.99,;25.53,-11.11,;27.19,-11.65,;28.21,-10.25,;27.2,-8.83,;25.53,-9.37,;24.03,-8.5,;13.47,-9.37,;13.49,-10.91,;12.18,-11.67,;10.85,-10.91,;9.55,-11.69,;8.23,-10.95,;8.21,-9.4,;9.52,-8.65,;10.84,-9.4,;6.89,-8.66,;7.64,-7.33,;5.79,-7.57,;5.56,-9.44,;5.59,-10.96,;4.24,-8.68,;5.16,-7.41,;3.39,-6.36,;3.39,-5.11,;2.46,-6.07,;2.46,-7.6,;.59,-8.61,;1.46,-7.23,;14.81,-11.65,;16.12,-10.88,;17.44,-11.62,;18.76,-10.83,;17.47,-13.15,;16.14,-13.92,;16.16,-15.46,;14.82,-13.18,)| Show InChI InChI=1S/C39H47N5O/c1-24-16-25(2)18-29(17-24)37-36(26(3)21-40-15-14-27-8-12-34-30(19-27)22-41-43-34)33-20-31(9-13-35(33)42-37)39(4,5)38(45)44-23-28-6-10-32(44)11-7-28/h8-9,12-13,16-20,22,26,28,32,40,42H,6-7,10-11,14-15,21,23H2,1-5H3,(H,41,43)/t26-,28?,32?/m1/s1 | PDB
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Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50110625
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...)Show SMILES C[C@H](CNCCCCc1ccc2ncccc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:30:32:37.38:34.35| Show InChI InChI=1S/C42H50N4O/c1-27-21-28(2)23-32(22-27)40-39(29(3)26-43-19-7-6-9-30-11-17-37-31(24-30)10-8-20-44-37)36-25-33(12-18-38(36)45-40)42(4,5)41(47)46-34-13-14-35(46)16-15-34/h8,10-12,17-18,20-25,29,34-35,43,45H,6-7,9,13-16,19,26H2,1-5H3/t29-,34?,35?/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 827-32 (2002)
BindingDB Entry DOI: 10.7270/Q2G73D1X |
More data for this
Ligand-Target Pair | |
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