Found 2 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50121090' 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)) | BDBM50121090
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NC[C@H]1CC[C@H](CNC(N)=N)CC1)C(C)(C)CCC2(C)C |wU:20.22,wD:17.18,(13.73,-14.94,;12.37,-14.16,;11.04,-14.93,;9.71,-14.16,;9.71,-12.62,;11.04,-11.85,;12.37,-12.62,;13.73,-11.85,;13.73,-10.31,;14.89,-9.27,;14.26,-7.89,;12.72,-8.03,;12.4,-9.54,;11.71,-6.87,;10.2,-7.17,;12.21,-5.42,;11.2,-4.25,;9.69,-4.56,;8.68,-3.39,;7.17,-3.67,;6.67,-5.14,;5.16,-5.46,;4.14,-4.3,;4.63,-2.85,;3.6,-1.7,;6.12,-2.54,;7.68,-6.31,;9.18,-6,;8.38,-11.85,;7.05,-11.08,;9.71,-11.08,;7.05,-12.62,;7.05,-14.16,;8.38,-14.93,;9.48,-16.01,;6.89,-15.34,)| Show InChI InChI=1S/C30H44N4O2/c1-19-14-24-25(30(4,5)13-12-29(24,2)3)16-22(19)15-23-10-11-26(36-23)27(35)33-17-20-6-8-21(9-7-20)18-34-28(31)32/h10-11,14,16,20-21H,6-9,12-13,15,17-18H2,1-5H3,(H,33,35)(H4,31,32,34)/t20-,21- | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals
Curated by ChEMBL
| Assay Description In vitro binding affinity to human gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 3467-70 (2002)
BindingDB Entry DOI: 10.7270/Q20K27X7 |
More data for this Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50121090
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NC[C@H]1CC[C@H](CNC(N)=N)CC1)C(C)(C)CCC2(C)C |wU:20.22,wD:17.18,(13.73,-14.94,;12.37,-14.16,;11.04,-14.93,;9.71,-14.16,;9.71,-12.62,;11.04,-11.85,;12.37,-12.62,;13.73,-11.85,;13.73,-10.31,;14.89,-9.27,;14.26,-7.89,;12.72,-8.03,;12.4,-9.54,;11.71,-6.87,;10.2,-7.17,;12.21,-5.42,;11.2,-4.25,;9.69,-4.56,;8.68,-3.39,;7.17,-3.67,;6.67,-5.14,;5.16,-5.46,;4.14,-4.3,;4.63,-2.85,;3.6,-1.7,;6.12,-2.54,;7.68,-6.31,;9.18,-6,;8.38,-11.85,;7.05,-11.08,;9.71,-11.08,;7.05,-12.62,;7.05,-14.16,;8.38,-14.93,;9.48,-16.01,;6.89,-15.34,)| Show InChI InChI=1S/C30H44N4O2/c1-19-14-24-25(30(4,5)13-12-29(24,2)3)16-22(19)15-23-10-11-26(36-23)27(35)33-17-20-6-8-21(9-7-20)18-34-28(31)32/h10-11,14,16,20-21H,6-9,12-13,15,17-18H2,1-5H3,(H,33,35)(H4,31,32,34)/t20-,21- | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 385 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity to rat gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 3467-70 (2002)
BindingDB Entry DOI: 10.7270/Q20K27X7 |
More data for this Ligand-Target Pair | |