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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50225082'   
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)
BDBM50225082
PNG
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CN1CCN(CC(=O)N2CCCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:34:36:38.39:41.42|
Show InChI InChI=1S/C35H47N5O2S/c1-23-17-24(2)19-25(18-23)32-29(21-37-13-15-38(16-14-37)22-31(41)39-11-5-6-12-39)28-20-30(43-33(28)36-32)35(3,4)34(42)40-26-7-8-27(40)10-9-26/h17-20,26-27,36H,5-16,21-22H2,1-4H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 116n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp from rat GnRH receptor


Bioorg Med Chem Lett 17: 6448-54 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50225082
PNG
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CN1CCN(CC(=O)N2CCCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:34:36:38.39:41.42|
Show InChI InChI=1S/C35H47N5O2S/c1-23-17-24(2)19-25(18-23)32-29(21-37-13-15-38(16-14-37)22-31(41)39-11-5-6-12-39)28-20-30(43-33(28)36-32)35(3,4)34(42)40-26-7-8-27(40)10-9-26/h17-20,26-27,36H,5-16,21-22H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 161n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pitutary cells assessed as inhibition of GnRH stimulated LH release after...


Bioorg Med Chem Lett 17: 6448-54 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50225082
PNG
(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dime...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CN1CCN(CC(=O)N2CCCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:34:36:38.39:41.42|
Show InChI InChI=1S/C35H47N5O2S/c1-23-17-24(2)19-25(18-23)32-29(21-37-13-15-38(16-14-37)22-31(41)39-11-5-6-12-39)28-20-30(43-33(28)36-32)35(3,4)34(42)40-26-7-8-27(40)10-9-26/h17-20,26-27,36H,5-16,21-22H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 495n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells


Bioorg Med Chem Lett 17: 6448-54 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.099
BindingDB Entry DOI: 10.7270/Q26D5SQF
More data for this
Ligand-Target Pair