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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50101244'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101244
PNG
(2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-bu...)
Show SMILES CN(C)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C33H42N4O/c1-23-19-24(2)21-26(20-23)31-28(14-18-34-15-8-7-9-25-12-16-35-17-13-25)29-22-27(10-11-30(29)36-31)33(3,4)32(38)37(5)6/h10-13,16-17,19-22,34,36H,7-9,14-15,18H2,1-6H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated luteinizing hormone (LH) release in rat pituitary cells


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101244
PNG
(2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-bu...)
Show SMILES CN(C)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C33H42N4O/c1-23-19-24(2)21-26(20-23)31-28(14-18-34-15-8-7-9-25-12-16-35-17-13-25)29-22-27(10-11-30(29)36-31)33(3,4)32(38)37(5)6/h10-13,16-17,19-22,34,36H,7-9,14-15,18H2,1-6H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 930n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated luteinizing hormone (LH) release in rat pituitary cells


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair