Found 2 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50121486' 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)) | BDBM50121486
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3ccnc(Cl)n3)CC1)C(C)(C)CCC2(C)C |(-2.48,-15.18,;-3.84,-14.47,;-5.21,-15.18,;-6.57,-14.47,;-6.57,-13.03,;-5.21,-12.32,;-3.84,-13.03,;-2.49,-12.3,;-1.12,-13.02,;-1.12,-14.46,;1.6,-14.47,;1.6,-13.03,;.24,-12.3,;2.97,-12.32,;2.97,-10.87,;4.33,-13.03,;5.82,-12.14,;7.32,-12.98,;7.35,-14.71,;8.84,-15.55,;10.33,-14.67,;11.84,-15.52,;13.34,-14.63,;14.84,-15.47,;16.33,-14.58,;17.83,-15.42,;17.85,-17.16,;16.36,-18.06,;16.39,-19.78,;14.86,-17.2,;10.31,-12.95,;8.8,-12.09,;-7.91,-12.32,;-6.57,-11.59,;-9.29,-11.59,;-9.27,-13.03,;-9.27,-14.47,;-7.91,-15.18,;-9.29,-15.89,;-6.57,-15.91,)| Show InChI InChI=1S/C33H43ClN4O2/c1-21-16-26-27(33(4,5)14-13-32(26,2)3)18-24(21)17-25-10-11-28(40-25)30(39)37-20-23-8-6-22(7-9-23)19-36-29-12-15-35-31(34)38-29/h10-12,15-16,18,22-23H,6-9,13-14,17,19-20H2,1-5H3,(H,37,39)(H,35,36,38) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 103 | 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 towards human gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 3635-9 (2002)
BindingDB Entry DOI: 10.7270/Q2XK8DXZ |
More data for this Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Rattus norvegicus) | BDBM50121486
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3ccnc(Cl)n3)CC1)C(C)(C)CCC2(C)C |(-2.48,-15.18,;-3.84,-14.47,;-5.21,-15.18,;-6.57,-14.47,;-6.57,-13.03,;-5.21,-12.32,;-3.84,-13.03,;-2.49,-12.3,;-1.12,-13.02,;-1.12,-14.46,;1.6,-14.47,;1.6,-13.03,;.24,-12.3,;2.97,-12.32,;2.97,-10.87,;4.33,-13.03,;5.82,-12.14,;7.32,-12.98,;7.35,-14.71,;8.84,-15.55,;10.33,-14.67,;11.84,-15.52,;13.34,-14.63,;14.84,-15.47,;16.33,-14.58,;17.83,-15.42,;17.85,-17.16,;16.36,-18.06,;16.39,-19.78,;14.86,-17.2,;10.31,-12.95,;8.8,-12.09,;-7.91,-12.32,;-6.57,-11.59,;-9.29,-11.59,;-9.27,-13.03,;-9.27,-14.47,;-7.91,-15.18,;-9.29,-15.89,;-6.57,-15.91,)| Show InChI InChI=1S/C33H43ClN4O2/c1-21-16-26-27(33(4,5)14-13-32(26,2)3)18-24(21)17-25-10-11-28(40-25)30(39)37-20-23-8-6-22(7-9-23)19-36-29-12-15-35-31(34)38-29/h10-12,15-16,18,22-23H,6-9,13-14,17,19-20H2,1-5H3,(H,37,39)(H,35,36,38) | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 2.14E+3 | 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 towards rat gonadotropin-releasing hormone receptor |
Bioorg Med Chem Lett 12: 3635-9 (2002)
BindingDB Entry DOI: 10.7270/Q2XK8DXZ |
More data for this Ligand-Target Pair | |