Found 2 hits for monomerid = 50120652 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50120652
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1ccncc1C)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:25:27:31.30:33.34,(10.97,2.26,;11.78,.95,;13.33,1.02,;14.06,2.37,;15.6,2.41,;16.34,3.76,;17.88,3.78,;18.67,2.46,;20.2,2.47,;20.95,3.82,;20.18,5.13,;18.64,5.11,;17.85,6.44,;11.05,-.4,;11.71,-1.8,;10.63,-2.86,;9.27,-2.15,;7.84,-2.68,;6.66,-1.68,;6.93,-.17,;8.36,.34,;9.54,-.64,;5.75,.81,;4.57,1.79,;6.73,1.99,;4.75,-.37,;5.29,-1.8,;3.26,-.12,;3.45,1.26,;1.99,1.91,;1.92,3.54,;1.47,2.44,;1.72,.55,;.36,-.08,;.64,1.3,;13.25,-1.92,;13.92,-3.29,;15.46,-3.4,;16.12,-4.82,;16.32,-2.12,;15.64,-.75,;16.53,.53,;14.11,-.64,)| Show InChI InChI=1S/C38H48N4O/c1-24-17-25(2)19-30(18-24)36-35(27(4)22-40-16-14-29-13-15-39-21-26(29)3)33-20-31(9-12-34(33)41-36)38(5,6)37(43)42-23-28-7-10-32(42)11-8-28/h9,12-13,15,17-21,27-28,32,40-41H,7-8,10-11,14,16,22-23H2,1-6H3/t27-,28?,32?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | 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 I-125 labeled buserelin binding to the human Gonadotropin-releasing hormone receptor |
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)) | BDBM50120652
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1ccncc1C)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,TLB:25:27:31.30:33.34,(10.97,2.26,;11.78,.95,;13.33,1.02,;14.06,2.37,;15.6,2.41,;16.34,3.76,;17.88,3.78,;18.67,2.46,;20.2,2.47,;20.95,3.82,;20.18,5.13,;18.64,5.11,;17.85,6.44,;11.05,-.4,;11.71,-1.8,;10.63,-2.86,;9.27,-2.15,;7.84,-2.68,;6.66,-1.68,;6.93,-.17,;8.36,.34,;9.54,-.64,;5.75,.81,;4.57,1.79,;6.73,1.99,;4.75,-.37,;5.29,-1.8,;3.26,-.12,;3.45,1.26,;1.99,1.91,;1.92,3.54,;1.47,2.44,;1.72,.55,;.36,-.08,;.64,1.3,;13.25,-1.92,;13.92,-3.29,;15.46,-3.4,;16.12,-4.82,;16.32,-2.12,;15.64,-.75,;16.53,.53,;14.11,-.64,)| Show InChI InChI=1S/C38H48N4O/c1-24-17-25(2)19-30(18-24)36-35(27(4)22-40-16-14-29-13-15-39-21-26(29)3)33-20-31(9-12-34(33)41-36)38(5,6)37(43)42-23-28-7-10-32(42)11-8-28/h9,12-13,15,17-21,27-28,32,40-41H,7-8,10-11,14,16,22-23H2,1-6H3/t27-,28?,32?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 48 | 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 | |