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SMILES: Cc1cc(cc(C)c1C)-c1c(OCC[C@H]2CCC(=O)N2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O

InChI Key: InChIKey=XPSOGWHSLSTLJK-QGZVFWFLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50155355   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50155355
PNG
(7-Chloro-2-oxo-4-[2-(5-oxo-pyrrolidin-2-yl)-ethoxy...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@H]2CCC(=O)N2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C27H26ClN5O4S/c1-13-8-16(9-14(2)15(13)3)24-25(37-7-6-17-4-5-23(34)30-17)19-10-18(20(28)11-21(19)31-27(24)36)26(35)32-22-12-29-38-33-22/h8-12,17H,4-7H2,1-3H3,(H,30,34)(H,31,36)(H,32,33,35)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.700n/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
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50155355
PNG
(7-Chloro-2-oxo-4-[2-(5-oxo-pyrrolidin-2-yl)-ethoxy...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@H]2CCC(=O)N2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C27H26ClN5O4S/c1-13-8-16(9-14(2)15(13)3)24-25(37-7-6-17-4-5-23(34)30-17)19-10-18(20(28)11-21(19)31-27(24)36)26(35)32-22-12-29-38-33-22/h8-12,17H,4-7H2,1-3H3,(H,30,34)(H,31,36)(H,32,33,35)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.300n/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