Found 2 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50104548' 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)) | BDBM50104548
(1-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-{2-(3,5-dimethy...)Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC(CC2)C1)-c1cc(C)cc(C)c1 |wD:1.0,TLB:26:28:31.32:35.34,(5.63,.3,;6.4,-1.03,;7.94,-1.05,;8.71,.28,;10.25,.27,;11.02,1.6,;12.56,1.6,;13.35,2.93,;14.89,2.92,;15.64,1.58,;17.2,1.58,;17.97,2.92,;17.2,4.25,;15.66,4.25,;5.62,-2.36,;6.24,-3.78,;5.09,-4.79,;3.76,-4.02,;2.31,-4.49,;1.17,-3.46,;1.5,-1.96,;2.96,-1.49,;4.09,-2.53,;.36,-.92,;-.74,.18,;1.85,-.51,;-1.11,-1.38,;-1.44,-2.89,;-2.33,-.45,;-2.75,1,;-4.32,1.28,;-5.43,.35,;-5.44,-1.19,;-4.55,-.05,;-5.37,1.7,;-4.99,2.75,;-3.45,.18,;7.73,-4.11,;8.77,-2.96,;10.27,-3.29,;11.3,-2.15,;10.74,-4.76,;9.71,-5.9,;10.18,-7.36,;8.2,-5.58,)| Show InChI InChI=1S/C40H52N4O/c1-27-20-28(2)22-33(21-27)38-37(29(3)24-42-17-7-6-8-30-15-18-41-19-16-30)35-23-34(13-14-36(35)43-38)40(4,5)39(45)44-25-31-9-10-32(26-44)12-11-31/h13-16,18-23,29,31-32,42-43H,6-12,17,24-26H2,1-5H3/t29-,31?,32?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin. |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
Gonadotropin-releasing hormone receptor
(Homo sapiens (Human)) | BDBM50104548
(1-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-{2-(3,5-dimethy...)Show SMILES C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC(CC2)C1)-c1cc(C)cc(C)c1 |wD:1.0,TLB:26:28:31.32:35.34,(5.63,.3,;6.4,-1.03,;7.94,-1.05,;8.71,.28,;10.25,.27,;11.02,1.6,;12.56,1.6,;13.35,2.93,;14.89,2.92,;15.64,1.58,;17.2,1.58,;17.97,2.92,;17.2,4.25,;15.66,4.25,;5.62,-2.36,;6.24,-3.78,;5.09,-4.79,;3.76,-4.02,;2.31,-4.49,;1.17,-3.46,;1.5,-1.96,;2.96,-1.49,;4.09,-2.53,;.36,-.92,;-.74,.18,;1.85,-.51,;-1.11,-1.38,;-1.44,-2.89,;-2.33,-.45,;-2.75,1,;-4.32,1.28,;-5.43,.35,;-5.44,-1.19,;-4.55,-.05,;-5.37,1.7,;-4.99,2.75,;-3.45,.18,;7.73,-4.11,;8.77,-2.96,;10.27,-3.29,;11.3,-2.15,;10.74,-4.76,;9.71,-5.9,;10.18,-7.36,;8.2,-5.58,)| Show InChI InChI=1S/C40H52N4O/c1-27-20-28(2)22-33(21-27)38-37(29(3)24-42-17-7-6-8-30-15-18-41-19-16-30)35-23-34(13-14-36(35)43-38)40(4,5)39(45)44-25-31-9-10-32(26-44)12-11-31/h13-16,18-23,29,31-32,42-43H,6-12,17,24-26H2,1-5H3/t29-,31?,32?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta... |
Bioorg Med Chem Lett 11: 2597-602 (2001)
BindingDB Entry DOI: 10.7270/Q2NV9HKC |
More data for this
Ligand-Target Pair | |
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