Found 2 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50121091' 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)) | BDBM50121091
(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:20.22,17.18,(9.88,-8.62,;8.54,-7.82,;7.19,-8.59,;5.86,-7.82,;5.86,-6.28,;7.19,-5.51,;8.54,-6.28,;9.88,-5.51,;9.89,-3.97,;11.04,-2.94,;10.41,-1.55,;8.89,-1.7,;8.56,-3.2,;7.87,-.54,;6.35,-.84,;8.36,.91,;7.36,2.07,;5.84,1.77,;4.84,2.94,;3.31,2.65,;2.83,1.18,;1.31,.88,;.29,2.02,;.78,3.49,;-.25,4.64,;2.29,3.8,;3.83,.02,;5.34,.32,;4.53,-5.51,;3.2,-4.74,;5.88,-4.74,;3.2,-6.28,;3.2,-7.82,;4.53,-8.59,;5.63,-9.69,;3.04,-9.01,)| 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
| 40 | 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) | BDBM50121091
(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:20.22,17.18,(9.88,-8.62,;8.54,-7.82,;7.19,-8.59,;5.86,-7.82,;5.86,-6.28,;7.19,-5.51,;8.54,-6.28,;9.88,-5.51,;9.89,-3.97,;11.04,-2.94,;10.41,-1.55,;8.89,-1.7,;8.56,-3.2,;7.87,-.54,;6.35,-.84,;8.36,.91,;7.36,2.07,;5.84,1.77,;4.84,2.94,;3.31,2.65,;2.83,1.18,;1.31,.88,;.29,2.02,;.78,3.49,;-.25,4.64,;2.29,3.8,;3.83,.02,;5.34,.32,;4.53,-5.51,;3.2,-4.74,;5.88,-4.74,;3.2,-6.28,;3.2,-7.82,;4.53,-8.59,;5.63,-9.69,;3.04,-9.01,)| 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
| 730 | 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 | |