Found 180 hits with Last Name = 'mao' and Initial = 'ah' 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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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)) | BDBM50120658
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1cc[n+]([O-])c(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,(10.97,2.41,;11.45,.95,;12.96,.62,;14,1.76,;15.5,1.44,;16.55,2.56,;18.05,2.23,;18.5,.74,;20,.39,;21.04,1.53,;22.53,1.18,;20.62,2.98,;21.67,4.12,;19.1,3.35,;10.4,-.22,;10.72,-1.71,;9.4,-2.48,;8.25,-1.47,;6.74,-1.63,;5.83,-.4,;6.45,1.02,;7.97,1.18,;8.88,-.05,;5.54,2.25,;4.62,3.51,;6.78,3.17,;4.29,1.35,;4.47,-.17,;2.9,1.96,;3.41,3.25,;2.15,4.23,;2.48,5.84,;1.78,4.86,;1.57,2.96,;.09,2.68,;.68,3.96,;12.18,-2.2,;13.33,-1.17,;14.79,-1.64,;15.94,-.61,;15.12,-3.14,;13.96,-4.18,;14.26,-5.71,;12.49,-3.7,)| Show InChI InChI=1S/C38H48N4O2/c1-24-17-25(2)19-30(18-24)36-35(26(3)22-39-15-13-28-14-16-42(44)27(4)20-28)33-21-31(9-12-34(33)40-36)38(5,6)37(43)41-23-29-7-10-32(41)11-8-29/h9,12,14,16-21,26,29,32,39-40H,7-8,10-11,13,15,22-23H2,1-6H3/t26-,29?,32?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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 Concentration required for the inhibition of I-125 labeled buserelin binding to the human Gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 3329-32 (2002)
BindingDB Entry DOI: 10.7270/Q2668CHV |
More data for this Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50120666
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1cc[n+]([O-])cc1)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,(10.97,2.42,;11.45,.95,;12.96,.62,;14,1.76,;15.5,1.44,;16.55,2.56,;18.06,2.23,;18.5,.74,;20,.39,;21.05,1.53,;22.54,1.18,;20.62,2.98,;19.1,3.35,;10.4,-.22,;10.72,-1.71,;9.4,-2.48,;8.26,-1.47,;6.74,-1.63,;5.83,-.4,;6.45,1.02,;7.98,1.18,;8.88,-.05,;5.55,2.25,;4.62,3.51,;6.78,3.17,;4.29,1.35,;4.47,-.17,;2.9,1.96,;3.41,3.25,;2.15,4.23,;.68,3.96,;.09,2.68,;1.57,2.96,;1.78,4.86,;2.48,5.84,;12.19,-2.2,;12.5,-3.7,;13.96,-4.18,;14.27,-5.71,;15.12,-3.15,;14.79,-1.64,;15.94,-.61,;13.33,-1.17,)| Show InChI InChI=1S/C37H46N4O2/c1-24-18-25(2)20-29(19-24)35-34(26(3)22-38-15-12-27-13-16-40(43)17-14-27)32-21-30(8-11-33(32)39-35)37(4,5)36(42)41-23-28-6-9-31(41)10-7-28/h8,11,13-14,16-21,26,28,31,38-39H,6-7,9-10,12,15,22-23H2,1-5H3/t26-,28?,31?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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 Concentration required for the inhibition of I-125 labeled buserelin binding to the human Gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 3329-32 (2002)
BindingDB Entry DOI: 10.7270/Q2668CHV |
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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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)) | BDBM50120667
(Acetic acid 4-(2-{(S)-2-[5-[2-(2-aza-bicyclo[2.2.2...)Show SMILES C[C@H](CNCCc1ccnc(COC(C)=O)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:29:31:35.34:37.38,(9.49,1.53,;9.96,.07,;11.48,-.26,;12.52,.89,;14.02,.56,;15.07,1.69,;16.57,1.34,;17.02,-.14,;18.52,-.49,;19.56,.64,;19.14,2.11,;20.19,3.23,;21.69,2.88,;22.13,1.4,;23.62,1.04,;21.07,.28,;17.62,2.46,;8.91,-1.1,;9.23,-2.6,;7.91,-3.36,;6.77,-2.34,;5.25,-2.5,;4.34,-1.27,;4.96,.13,;6.49,.3,;7.4,-.93,;4.06,1.38,;5.29,2.3,;3.13,2.63,;2.81,.48,;2.98,-1.05,;1.41,1.09,;1.92,2.37,;.66,3.35,;-.81,3.09,;-1.4,1.81,;.08,2.09,;.29,4,;.99,4.96,;10.7,-3.08,;11.01,-4.58,;12.48,-5.07,;12.78,-6.58,;13.64,-4.02,;13.31,-2.53,;14.46,-1.49,;11.84,-2.05,)| Show InChI InChI=1S/C40H50N4O3/c1-25-17-26(2)19-31(18-25)38-37(27(3)22-41-15-13-29-14-16-42-33(20-29)24-47-28(4)45)35-21-32(9-12-36(35)43-38)40(5,6)39(46)44-23-30-7-10-34(44)11-8-30/h9,12,14,16-21,27,30,34,41,43H,7-8,10-11,13,15,22-24H2,1-6H3/t27-,30?,34?/m1/s1 | PDB
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Similars
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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 Concentration required for the inhibition of phosphatidyl inositol hydrolysis in chinese hamster ovary cells expressing human GnRH receptor (Gonadotr... |
Bioorg Med Chem Lett 12: 3329-32 (2002)
BindingDB Entry DOI: 10.7270/Q2668CHV |
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)) | 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)) | 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)) | 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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| PubMed
| 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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| 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)) | 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 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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Similars
| PubMed
| 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)) | BDBM50120662
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1ccnc(CO)c1)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,(9.34,2.52,;9.81,1.05,;11.34,.72,;12.38,1.87,;13.89,1.54,;14.93,2.68,;16.45,2.33,;16.89,.84,;18.4,.49,;19.44,1.63,;19.02,3.1,;20.07,4.22,;21.57,3.87,;17.5,3.45,;8.75,-.12,;9.08,-1.62,;7.76,-2.39,;6.62,-1.36,;5.08,-1.53,;4.17,-.29,;4.8,1.11,;6.32,1.28,;7.23,.05,;3.89,2.36,;5.13,3.29,;2.97,3.62,;2.64,1.47,;2.81,-.05,;1.22,2.07,;1.75,3.36,;.48,4.34,;-.98,4.08,;-1.58,2.8,;-.11,3.08,;.1,4.98,;.8,5.96,;10.55,-2.1,;11.7,-1.08,;13.17,-1.55,;14.33,-.51,;13.5,-3.05,;12.33,-4.1,;12.65,-5.62,;10.86,-3.61,)| Show InChI InChI=1S/C38H48N4O2/c1-24-16-25(2)18-29(17-24)36-35(26(3)21-39-14-12-27-13-15-40-31(19-27)23-43)33-20-30(8-11-34(33)41-36)38(4,5)37(44)42-22-28-6-9-32(42)10-7-28/h8,11,13,15-20,26,28,32,39,41,43H,6-7,9-10,12,14,21-23H2,1-5H3/t26-,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 Concentration required for the inhibition of phosphatidyl inositol hydrolysis in chinese hamster ovary cells expressing human GnRH receptor (Gonadotr... |
Bioorg Med Chem Lett 12: 3329-32 (2002)
BindingDB Entry DOI: 10.7270/Q2668CHV |
More data for this Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50120665
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1cc(C)nc(C)c1)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,(9.77,-.05,;10.58,-1.37,;12.14,-1.31,;12.87,.04,;14.4,.09,;15.15,1.42,;16.69,1.46,;17.45,2.79,;18.99,2.81,;19.76,4.16,;19.76,1.49,;19.02,.14,;19.81,-1.17,;17.48,.13,;9.85,-2.75,;10.51,-4.13,;9.43,-5.19,;8.07,-4.48,;6.64,-5.01,;5.46,-4.01,;5.73,-2.52,;7.16,-1.99,;8.34,-2.97,;4.54,-1.52,;5.53,-.33,;3.36,-.54,;3.55,-2.7,;4.08,-4.13,;2.05,-2.45,;2.24,-1.07,;.78,-.4,;-.57,-1.02,;-.85,-2.41,;.51,-1.78,;.26,.11,;.71,1.21,;12.05,-4.25,;12.73,-5.62,;14.26,-5.74,;14.93,-7.15,;15.13,-4.46,;14.45,-3.08,;15.33,-1.8,;12.91,-2.97,)| Show InChI InChI=1S/C39H50N4O/c1-24-16-25(2)18-31(17-24)37-36(26(3)22-40-15-14-30-19-27(4)41-28(5)20-30)34-21-32(10-13-35(34)42-37)39(6,7)38(44)43-23-29-8-11-33(43)12-9-29/h10,13,16-21,26,29,33,40,42H,8-9,11-12,14-15,22-23H2,1-7H3/t26-,29?,33?/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 Concentration required for the inhibition of I-125 labeled buserelin binding to the human Gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 3329-32 (2002)
BindingDB Entry DOI: 10.7270/Q2668CHV |
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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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)) | 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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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)) | BDBM50120661
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[3-{(S)-2-[2-(2...)Show SMILES C[C@H](CNCCc1cc(C)[n+]([O-])c(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,(10.97,2.59,;11.45,1.13,;12.96,.81,;14,1.95,;15.5,1.62,;16.55,2.74,;18.06,2.4,;19.11,3.53,;20.62,3.16,;21.67,4.28,;21.05,1.7,;22.54,1.35,;20,.57,;20.46,-.89,;18.5,.92,;10.4,-.03,;10.72,-1.54,;9.4,-2.31,;8.26,-1.29,;6.74,-1.45,;5.83,-.21,;6.45,1.19,;7.98,1.35,;8.89,.13,;5.55,2.44,;4.62,3.68,;6.78,3.35,;4.3,1.53,;4.47,.02,;2.9,2.14,;3.41,3.43,;2.15,4.4,;2.48,6.03,;1.78,5.05,;1.57,3.14,;.09,2.86,;.68,4.14,;12.19,-2.01,;12.5,-3.53,;13.97,-4.01,;14.27,-5.53,;15.12,-2.97,;14.8,-1.47,;15.95,-.43,;13.33,-.99,)| Show InChI InChI=1S/C39H50N4O2/c1-24-16-25(2)18-31(17-24)37-36(26(3)22-40-15-14-30-19-27(4)43(45)28(5)20-30)34-21-32(10-13-35(34)41-37)39(6,7)38(44)42-23-29-8-11-33(42)12-9-29/h10,13,16-21,26,29,33,40-41H,8-9,11-12,14-15,22-23H2,1-7H3/t26-,29?,33?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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 Concentration required for the inhibition of I-125 labeled buserelin binding to the human Gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 3329-32 (2002)
BindingDB Entry DOI: 10.7270/Q2668CHV |
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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UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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)) | BDBM50120664
(2-[3-{(S)-2-[2-(2-Acetyl-pyridin-4-yl)-ethylamino]...)Show SMILES C[C@H](CNCCc1ccnc(c1)C(C)=O)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,(9.34,2.52,;9.81,1.05,;11.34,.72,;12.38,1.87,;13.89,1.54,;14.93,2.68,;16.45,2.33,;16.89,.84,;18.4,.49,;19.44,1.63,;19.02,3.1,;17.5,3.45,;20.07,4.22,;21.57,3.87,;19.63,5.7,;8.75,-.12,;9.08,-1.62,;7.76,-2.39,;6.62,-1.36,;5.08,-1.53,;4.17,-.29,;4.8,1.11,;6.32,1.28,;7.23,.05,;3.89,2.36,;2.97,3.62,;5.13,3.29,;2.64,1.47,;2.81,-.05,;1.22,2.07,;1.75,3.36,;.48,4.34,;.8,5.96,;.1,4.98,;-.11,3.08,;-1.58,2.8,;-.98,4.08,;10.55,-2.1,;10.86,-3.61,;12.33,-4.1,;12.65,-5.62,;13.5,-3.05,;13.17,-1.55,;14.33,-.51,;11.7,-1.08,)| Show InChI InChI=1S/C39H48N4O2/c1-24-17-25(2)19-30(18-24)37-36(26(3)22-40-15-13-28-14-16-41-35(20-28)27(4)44)33-21-31(9-12-34(33)42-37)39(5,6)38(45)43-23-29-7-10-32(43)11-8-29/h9,12,14,16-21,26,29,32,40,42H,7-8,10-11,13,15,22-23H2,1-6H3/t26-,29?,32?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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 Concentration required for the inhibition of I-125 labeled buserelin binding to the human Gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 3329-32 (2002)
BindingDB Entry DOI: 10.7270/Q2668CHV |
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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UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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)) | 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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UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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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Similars
| PubMed
| 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)) | 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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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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)) | 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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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)) | 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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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 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)) | 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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| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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)) | BDBM50120657
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[2-(3,5-dimethy...)Show SMILES CC(O)c1cc(CCNC[C@@H](C)c2c([nH]c3ccc(cc23)C(C)(C)C(=O)N2CC3CCC2CC3)-c2cc(C)cc(C)c2)ccn1 |wD:10.10,THB:24:26:30.29:32.33,(21.57,3.87,;20.07,4.22,;19.63,5.7,;19.02,3.1,;17.5,3.45,;16.45,2.33,;14.93,2.68,;13.89,1.54,;12.38,1.87,;11.34,.72,;9.81,1.05,;9.34,2.52,;8.75,-.12,;9.08,-1.62,;7.76,-2.39,;6.62,-1.36,;5.08,-1.53,;4.17,-.29,;4.8,1.11,;6.32,1.28,;7.23,.05,;3.89,2.36,;5.13,3.29,;2.97,3.62,;2.64,1.47,;2.81,-.05,;1.22,2.07,;1.75,3.36,;.48,4.34,;-.98,4.08,;-1.58,2.8,;-.11,3.08,;.1,4.98,;.8,5.96,;10.55,-2.1,;11.7,-1.08,;13.17,-1.55,;14.33,-.51,;13.5,-3.05,;12.33,-4.1,;12.65,-5.62,;10.86,-3.61,;16.89,.84,;18.4,.49,;19.44,1.63,)| Show InChI InChI=1S/C39H50N4O2/c1-24-17-25(2)19-30(18-24)37-36(26(3)22-40-15-13-28-14-16-41-35(20-28)27(4)44)33-21-31(9-12-34(33)42-37)39(5,6)38(45)43-23-29-7-10-32(43)11-8-29/h9,12,14,16-21,26-27,29,32,40,42,44H,7-8,10-11,13,15,22-23H2,1-6H3/t26-,27?,29?,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 Concentration required for the inhibition of I-125 labeled buserelin binding to the human Gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 3329-32 (2002)
BindingDB Entry DOI: 10.7270/Q2668CHV |
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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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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)) | 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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UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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)) | 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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Similars
| PubMed
| 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)) | 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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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | 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)) | 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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UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | 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)) | 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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| PubMed
| n/a | n/a | 0.700 | 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)) | 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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| PubMed
| n/a | n/a | 0.700 | 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)) | 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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Similars
| PubMed
| n/a | n/a | 0.700 | 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)) | BDBM50120669
(4-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...)Show SMILES C[C@H](CNCCc1ccnc(c1)C#N)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,(9.34,2.52,;9.81,1.05,;11.34,.72,;12.38,1.87,;13.89,1.54,;14.93,2.68,;16.45,2.33,;16.89,.84,;18.4,.49,;19.44,1.63,;19.02,3.1,;17.5,3.45,;20.07,4.22,;21.12,5.33,;8.75,-.12,;9.08,-1.62,;7.76,-2.39,;6.62,-1.36,;5.08,-1.53,;4.17,-.29,;4.8,1.11,;6.32,1.28,;7.23,.05,;3.89,2.36,;5.13,3.29,;2.97,3.62,;2.64,1.47,;2.81,-.05,;1.22,2.07,;1.75,3.36,;.48,4.34,;-.98,4.08,;-1.58,2.8,;-.11,3.08,;.1,4.98,;.8,5.96,;10.55,-2.1,;11.7,-1.08,;13.17,-1.55,;14.33,-.51,;13.5,-3.05,;12.33,-4.1,;12.65,-5.62,;10.86,-3.61,)| Show InChI InChI=1S/C38H45N5O/c1-24-16-25(2)18-29(17-24)36-35(26(3)22-40-14-12-27-13-15-41-31(19-27)21-39)33-20-30(8-11-34(33)42-36)38(4,5)37(44)43-23-28-6-9-32(43)10-7-28/h8,11,13,15-20,26,28,32,40,42H,6-7,9-10,12,14,22-23H2,1-5H3/t26-,28?,32?/m1/s1 | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Concentration required for the inhibition of I-125 labeled buserelin binding to the human Gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 3329-32 (2002)
BindingDB Entry DOI: 10.7270/Q2668CHV |
More data for this Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50120660
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1ccnc(c1)C(C)(C)O)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:28:30:34.33:36.37,(9.42,2.46,;9.89,.99,;11.42,.67,;12.45,1.81,;13.96,1.48,;14.99,2.61,;16.5,2.28,;16.95,.78,;18.45,.43,;19.49,1.58,;19.07,3.03,;17.55,3.39,;20.11,4.15,;19.67,5.63,;18.58,4.12,;21.61,3.8,;8.84,-.17,;9.16,-1.66,;7.85,-2.43,;6.71,-1.42,;5.18,-1.58,;4.27,-.35,;4.9,1.06,;6.41,1.23,;7.32,-.01,;3.99,2.3,;3.08,3.56,;5.23,3.22,;2.75,1.4,;2.92,-.12,;1.34,2,;1.86,3.3,;.59,4.28,;.92,5.89,;.22,4.91,;.01,3.01,;-1.46,2.73,;-.86,4.01,;10.63,-2.15,;11.77,-1.13,;13.24,-1.59,;14.4,-.57,;13.57,-3.1,;12.4,-4.13,;12.72,-5.66,;10.93,-3.66,)| Show InChI InChI=1S/C40H52N4O2/c1-25-18-26(2)20-30(19-25)37-36(27(3)23-41-16-14-28-15-17-42-35(21-28)40(6,7)46)33-22-31(10-13-34(33)43-37)39(4,5)38(45)44-24-29-8-11-32(44)12-9-29/h10,13,15,17-22,27,29,32,41,43,46H,8-9,11-12,14,16,23-24H2,1-7H3/t27-,29?,32?/m1/s1 | PDB
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| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Concentration required for the inhibition of I-125 labeled buserelin binding to the human Gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 3329-32 (2002)
BindingDB Entry DOI: 10.7270/Q2668CHV |
More data for this Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50120653
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES COCc1cc(CCNC[C@@H](C)c2c([nH]c3ccc(cc23)C(C)(C)C(=O)N2CC3CCC2CC3)-c2cc(C)cc(C)c2)ccn1 |wD:10.10,TLB:24:26:30.29:32.33,(21.92,.09,;21.01,-1.17,;19.48,-1.01,;18.58,-2.26,;17.05,-2.1,;16.14,-3.34,;14.6,-3.18,;13.69,-4.44,;12.17,-4.27,;11.26,-5.52,;9.73,-5.36,;9.1,-3.95,;8.82,-6.6,;9.28,-8.07,;8.06,-8.97,;6.81,-8.07,;5.31,-8.4,;4.27,-7.26,;4.76,-5.8,;6.25,-5.48,;7.28,-6.6,;3.74,-4.65,;4.88,-3.62,;2.71,-3.5,;2.59,-5.66,;2.9,-7.16,;1.13,-5.17,;.82,-3.67,;-.7,-3.5,;-1.86,-4.54,;-1.76,-6.07,;-.62,-5.04,;-1.33,-3.64,;-1.33,-2.11,;10.79,-8.4,;11.82,-7.26,;13.32,-7.58,;14.36,-6.44,;13.8,-9.05,;12.76,-10.19,;13.22,-11.65,;11.27,-9.86,;16.77,-4.75,;18.3,-4.92,;19.21,-3.67,)| Show InChI InChI=1S/C39H50N4O2/c1-25-17-26(2)19-30(18-25)37-36(27(3)22-40-15-13-28-14-16-41-32(20-28)24-45-6)34-21-31(9-12-35(34)42-37)39(4,5)38(44)43-23-29-7-10-33(43)11-8-29/h9,12,14,16-21,27,29,33,40,42H,7-8,10-11,13,15,22-24H2,1-6H3/t27-,29?,33?/m1/s1 | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Concentration required for the inhibition of I-125 labeled buserelin binding to the human Gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 3329-32 (2002)
BindingDB Entry DOI: 10.7270/Q2668CHV |
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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| n/a | n/a | 0.700 | 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)) | 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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Similars
| PubMed
| 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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| CHEMBL PC cid PC sid UniChem
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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 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)) | BDBM50120656
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1cc[n+]([O-])cc1C)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,(10.97,2.59,;11.44,1.13,;12.96,.81,;14,1.95,;15.5,1.62,;16.54,2.74,;18.05,2.4,;18.49,.92,;19.99,.57,;21.04,1.7,;22.53,1.35,;20.61,3.16,;19.1,3.53,;18.65,5,;10.39,-.03,;10.71,-1.54,;9.39,-2.31,;8.25,-1.29,;6.74,-1.45,;5.83,-.21,;6.45,1.19,;7.97,1.35,;8.88,.13,;5.54,2.44,;4.62,3.68,;6.78,3.35,;4.29,1.53,;4.47,.02,;2.9,2.13,;3.41,3.42,;2.15,4.4,;2.48,6.02,;1.78,5.05,;1.57,3.14,;.09,2.86,;.68,4.14,;12.18,-2.01,;13.32,-.99,;14.79,-1.47,;15.94,-.43,;15.11,-2.97,;13.96,-4.01,;14.26,-5.53,;12.49,-3.52,)| Show InChI InChI=1S/C38H48N4O2/c1-24-17-25(2)19-30(18-24)36-35(26(3)21-39-15-13-29-14-16-41(44)22-27(29)4)33-20-31(9-12-34(33)40-36)38(5,6)37(43)42-23-28-7-10-32(42)11-8-28/h9,12,14,16-20,22,26,28,32,39-40H,7-8,10-11,13,15,21,23H2,1-6H3/t26-,28?,32?/m1/s1 | PDB
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Similars
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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 Concentration required for the inhibition of I-125 labeled buserelin binding to the human Gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 3329-32 (2002)
BindingDB Entry DOI: 10.7270/Q2668CHV |
More data for this Ligand-Target Pair | |