Found 2 hits for monomerid = 50120658 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)) | BDBM50120658
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1cc[n+]([O-])c(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,(10.97,2.41,;11.45,.95,;12.96,.62,;14,1.76,;15.5,1.44,;16.55,2.56,;18.05,2.23,;18.5,.74,;20,.39,;21.04,1.53,;22.53,1.18,;20.62,2.98,;21.67,4.12,;19.1,3.35,;10.4,-.22,;10.72,-1.71,;9.4,-2.48,;8.25,-1.47,;6.74,-1.63,;5.83,-.4,;6.45,1.02,;7.97,1.18,;8.88,-.05,;5.54,2.25,;4.62,3.51,;6.78,3.17,;4.29,1.35,;4.47,-.17,;2.9,1.96,;3.41,3.25,;2.15,4.23,;2.48,5.84,;1.78,4.86,;1.57,2.96,;.09,2.68,;.68,3.96,;12.18,-2.2,;13.33,-1.17,;14.79,-1.64,;15.94,-.61,;15.12,-3.14,;13.96,-4.18,;14.26,-5.71,;12.49,-3.7,)| Show InChI InChI=1S/C38H48N4O2/c1-24-17-25(2)19-30(18-24)36-35(26(3)22-39-15-13-28-14-16-42(44)27(4)20-28)33-21-31(9-12-34(33)40-36)38(5,6)37(43)41-23-29-7-10-32(41)11-8-29/h9,12,14,16-21,26,29,32,39-40H,7-8,10-11,13,15,22-23H2,1-6H3/t26-,29?,32?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | 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)) | BDBM50120658
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1cc[n+]([O-])c(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,(10.97,2.41,;11.45,.95,;12.96,.62,;14,1.76,;15.5,1.44,;16.55,2.56,;18.05,2.23,;18.5,.74,;20,.39,;21.04,1.53,;22.53,1.18,;20.62,2.98,;21.67,4.12,;19.1,3.35,;10.4,-.22,;10.72,-1.71,;9.4,-2.48,;8.25,-1.47,;6.74,-1.63,;5.83,-.4,;6.45,1.02,;7.97,1.18,;8.88,-.05,;5.54,2.25,;4.62,3.51,;6.78,3.17,;4.29,1.35,;4.47,-.17,;2.9,1.96,;3.41,3.25,;2.15,4.23,;2.48,5.84,;1.78,4.86,;1.57,2.96,;.09,2.68,;.68,3.96,;12.18,-2.2,;13.33,-1.17,;14.79,-1.64,;15.94,-.61,;15.12,-3.14,;13.96,-4.18,;14.26,-5.71,;12.49,-3.7,)| Show InChI InChI=1S/C38H48N4O2/c1-24-17-25(2)19-30(18-24)36-35(26(3)22-39-15-13-28-14-16-42(44)27(4)20-28)33-21-31(9-12-34(33)40-36)38(5,6)37(43)41-23-29-7-10-32(41)11-8-29/h9,12,14,16-21,26,29,32,39-40H,7-8,10-11,13,15,22-23H2,1-6H3/t26-,29?,32?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5.90 | 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 | |