Found 2 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50120659' 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)) | BDBM50120659
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1ccnc(C)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:25:27:31.30:33.34,(9.76,-.05,;10.57,-1.37,;12.12,-1.31,;12.85,.04,;14.39,.09,;15.13,1.42,;16.67,1.46,;17.46,.13,;18.99,.14,;19.74,1.49,;18.97,2.81,;19.74,4.16,;17.43,2.78,;9.84,-2.75,;10.5,-4.13,;9.42,-5.19,;8.06,-4.47,;6.63,-5,;5.45,-4.01,;5.72,-2.51,;7.15,-1.99,;8.33,-2.96,;4.54,-1.52,;5.52,-.33,;3.36,-.54,;3.54,-2.7,;4.08,-4.13,;2.05,-2.44,;2.24,-1.07,;.78,-.4,;-.57,-1.02,;-.85,-2.4,;.51,-1.78,;.26,.11,;.71,1.21,;12.04,-4.24,;12.9,-2.96,;14.43,-3.08,;15.32,-1.8,;15.11,-4.45,;14.25,-5.73,;14.91,-7.14,;12.71,-5.62,)| Show InChI InChI=1S/C38H48N4O/c1-24-17-25(2)19-30(18-24)36-35(26(3)22-39-15-13-28-14-16-40-27(4)20-28)33-21-31(9-12-34(33)41-36)38(5,6)37(43)42-23-29-7-10-32(42)11-8-29/h9,12,14,16-21,26,29,32,39,41H,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 | 0.900 | 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)) | BDBM50120659
(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)Show SMILES C[C@H](CNCCc1ccnc(C)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:25:27:31.30:33.34,(9.76,-.05,;10.57,-1.37,;12.12,-1.31,;12.85,.04,;14.39,.09,;15.13,1.42,;16.67,1.46,;17.46,.13,;18.99,.14,;19.74,1.49,;18.97,2.81,;19.74,4.16,;17.43,2.78,;9.84,-2.75,;10.5,-4.13,;9.42,-5.19,;8.06,-4.47,;6.63,-5,;5.45,-4.01,;5.72,-2.51,;7.15,-1.99,;8.33,-2.96,;4.54,-1.52,;5.52,-.33,;3.36,-.54,;3.54,-2.7,;4.08,-4.13,;2.05,-2.44,;2.24,-1.07,;.78,-.4,;-.57,-1.02,;-.85,-2.4,;.51,-1.78,;.26,.11,;.71,1.21,;12.04,-4.24,;12.9,-2.96,;14.43,-3.08,;15.32,-1.8,;15.11,-4.45,;14.25,-5.73,;14.91,-7.14,;12.71,-5.62,)| Show InChI InChI=1S/C38H48N4O/c1-24-17-25(2)19-30(18-24)36-35(26(3)22-39-15-13-28-14-16-40-27(4)20-28)33-21-31(9-12-34(33)41-36)38(5,6)37(43)42-23-29-7-10-32(42)11-8-29/h9,12,14,16-21,26,29,32,39,41H,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 | 8.70 | 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 | |
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