Found 2 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50104550' 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)) | 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 | 1.40 | 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 | |