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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 = 'BDBM50155354'   
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


(Homo sapiens (Human))
BDBM50155354
PNG
(7-Chloro-4-[2-(1-methyl-5-oxo-pyrrolidin-2-yl)-eth...)
Show SMILES CN1[C@@H](CCOc2c(-c3cc(C)c(C)c(C)c3)c(=O)[nH]c3cc(Cl)c(cc23)C(=O)Nc2cnsn2)CCC1=O
Show InChI InChI=1S/C28H28ClN5O4S/c1-14-9-17(10-15(2)16(14)3)25-26(38-8-7-18-5-6-24(35)34(18)4)20-11-19(21(29)12-22(20)31-28(25)37)27(36)32-23-13-30-39-33-23/h9-13,18H,5-8H2,1-4H3,(H,31,37)(H,32,33,36)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand


Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50155354
PNG
(7-Chloro-4-[2-(1-methyl-5-oxo-pyrrolidin-2-yl)-eth...)
Show SMILES CN1[C@@H](CCOc2c(-c3cc(C)c(C)c(C)c3)c(=O)[nH]c3cc(Cl)c(cc23)C(=O)Nc2cnsn2)CCC1=O
Show InChI InChI=1S/C28H28ClN5O4S/c1-14-9-17(10-15(2)16(14)3)25-26(38-8-7-18-5-6-24(35)34(18)4)20-11-19(21(29)12-22(20)31-28(25)37)27(36)32-23-13-30-39-33-23/h9-13,18H,5-8H2,1-4H3,(H,31,37)(H,32,33,36)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor


Bioorg Med Chem Lett 14: 5599-603 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.056
BindingDB Entry DOI: 10.7270/Q20V8C8D
More data for this
Ligand-Target Pair