Found 2 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50120665' 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)) | BDBM50120665
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1cc(C)nc(C)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,(9.77,-.05,;10.58,-1.37,;12.14,-1.31,;12.87,.04,;14.4,.09,;15.15,1.42,;16.69,1.46,;17.45,2.79,;18.99,2.81,;19.76,4.16,;19.76,1.49,;19.02,.14,;19.81,-1.17,;17.48,.13,;9.85,-2.75,;10.51,-4.13,;9.43,-5.19,;8.07,-4.48,;6.64,-5.01,;5.46,-4.01,;5.73,-2.52,;7.16,-1.99,;8.34,-2.97,;4.54,-1.52,;5.53,-.33,;3.36,-.54,;3.55,-2.7,;4.08,-4.13,;2.05,-2.45,;2.24,-1.07,;.78,-.4,;-.57,-1.02,;-.85,-2.41,;.51,-1.78,;.26,.11,;.71,1.21,;12.05,-4.25,;12.73,-5.62,;14.26,-5.74,;14.93,-7.15,;15.13,-4.46,;14.45,-3.08,;15.33,-1.8,;12.91,-2.97,)| Show InChI InChI=1S/C39H50N4O/c1-24-16-25(2)18-31(17-24)37-36(26(3)22-40-15-14-30-19-27(4)41-28(5)20-30)34-21-32(10-13-35(34)42-37)39(6,7)38(44)43-23-29-8-11-33(43)12-9-29/h10,13,16-21,26,29,33,40,42H,8-9,11-12,14-15,22-23H2,1-7H3/t26-,29?,33?/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 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)) | BDBM50120665
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1cc(C)nc(C)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,(9.77,-.05,;10.58,-1.37,;12.14,-1.31,;12.87,.04,;14.4,.09,;15.15,1.42,;16.69,1.46,;17.45,2.79,;18.99,2.81,;19.76,4.16,;19.76,1.49,;19.02,.14,;19.81,-1.17,;17.48,.13,;9.85,-2.75,;10.51,-4.13,;9.43,-5.19,;8.07,-4.48,;6.64,-5.01,;5.46,-4.01,;5.73,-2.52,;7.16,-1.99,;8.34,-2.97,;4.54,-1.52,;5.53,-.33,;3.36,-.54,;3.55,-2.7,;4.08,-4.13,;2.05,-2.45,;2.24,-1.07,;.78,-.4,;-.57,-1.02,;-.85,-2.41,;.51,-1.78,;.26,.11,;.71,1.21,;12.05,-4.25,;12.73,-5.62,;14.26,-5.74,;14.93,-7.15,;15.13,-4.46,;14.45,-3.08,;15.33,-1.8,;12.91,-2.97,)| Show InChI InChI=1S/C39H50N4O/c1-24-16-25(2)18-31(17-24)37-36(26(3)22-40-15-14-30-19-27(4)41-28(5)20-30)34-21-32(10-13-35(34)42-37)39(6,7)38(44)43-23-29-8-11-33(43)12-9-29/h10,13,16-21,26,29,33,40,42H,8-9,11-12,14-15,22-23H2,1-7H3/t26-,29?,33?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 24 | 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 | |
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