Found 2 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50120662' 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)) | 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
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 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)) | 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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 7.5 | 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 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 | |