Found 2 hits for monomerid = 50120667 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)) | BDBM50120667
(Acetic acid 4-(2-{(S)-2-[5-[2-(2-aza-bicyclo[2.2.2...)Show SMILES C[C@H](CNCCc1ccnc(COC(C)=O)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:29:31:35.34:37.38,(9.49,1.53,;9.96,.07,;11.48,-.26,;12.52,.89,;14.02,.56,;15.07,1.69,;16.57,1.34,;17.02,-.14,;18.52,-.49,;19.56,.64,;19.14,2.11,;20.19,3.23,;21.69,2.88,;22.13,1.4,;23.62,1.04,;21.07,.28,;17.62,2.46,;8.91,-1.1,;9.23,-2.6,;7.91,-3.36,;6.77,-2.34,;5.25,-2.5,;4.34,-1.27,;4.96,.13,;6.49,.3,;7.4,-.93,;4.06,1.38,;5.29,2.3,;3.13,2.63,;2.81,.48,;2.98,-1.05,;1.41,1.09,;1.92,2.37,;.66,3.35,;-.81,3.09,;-1.4,1.81,;.08,2.09,;.29,4,;.99,4.96,;10.7,-3.08,;11.01,-4.58,;12.48,-5.07,;12.78,-6.58,;13.64,-4.02,;13.31,-2.53,;14.46,-1.49,;11.84,-2.05,)| Show InChI InChI=1S/C40H50N4O3/c1-25-17-26(2)19-31(18-25)38-37(27(3)22-41-15-13-29-14-16-42-33(20-29)24-47-28(4)45)35-21-32(9-12-36(35)43-38)40(5,6)39(46)44-23-30-7-10-34(44)11-8-30/h9,12,14,16-21,27,30,34,41,43H,7-8,10-11,13,15,22-24H2,1-6H3/t27-,30?,34?/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)) | BDBM50120667
(Acetic acid 4-(2-{(S)-2-[5-[2-(2-aza-bicyclo[2.2.2...)Show SMILES C[C@H](CNCCc1ccnc(COC(C)=O)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:29:31:35.34:37.38,(9.49,1.53,;9.96,.07,;11.48,-.26,;12.52,.89,;14.02,.56,;15.07,1.69,;16.57,1.34,;17.02,-.14,;18.52,-.49,;19.56,.64,;19.14,2.11,;20.19,3.23,;21.69,2.88,;22.13,1.4,;23.62,1.04,;21.07,.28,;17.62,2.46,;8.91,-1.1,;9.23,-2.6,;7.91,-3.36,;6.77,-2.34,;5.25,-2.5,;4.34,-1.27,;4.96,.13,;6.49,.3,;7.4,-.93,;4.06,1.38,;5.29,2.3,;3.13,2.63,;2.81,.48,;2.98,-1.05,;1.41,1.09,;1.92,2.37,;.66,3.35,;-.81,3.09,;-1.4,1.81,;.08,2.09,;.29,4,;.99,4.96,;10.7,-3.08,;11.01,-4.58,;12.48,-5.07,;12.78,-6.58,;13.64,-4.02,;13.31,-2.53,;14.46,-1.49,;11.84,-2.05,)| Show InChI InChI=1S/C40H50N4O3/c1-25-17-26(2)19-31(18-25)38-37(27(3)22-41-15-13-29-14-16-42-33(20-29)24-47-28(4)45)35-21-32(9-12-36(35)43-38)40(5,6)39(46)44-23-30-7-10-34(44)11-8-30/h9,12,14,16-21,27,30,34,41,43H,7-8,10-11,13,15,22-24H2,1-6H3/t27-,30?,34?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 22 | 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 | |