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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 = 'BDBM50086607'   
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)
BDBM50086607
PNG
(CHEMBL341809 | Trifluoro-acetate2-{2-[7-chloro-3-(...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCC[NH2+]2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C29H30ClN5O3/c1-17-11-18(2)13-19(12-17)26-27(38-10-7-20-5-3-4-8-32-20)22-14-21(23(30)15-24(22)34-29(26)37)28(36)35-25-6-9-31-16-33-25/h6,9,11-16,20,32H,3-5,7-8,10H2,1-2H3,(H,34,37)(H,31,33,35,36)/p+1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat CHO cells stably expressing human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 10: 443-7 (2000)


BindingDB Entry DOI: 10.7270/Q25Q4V99
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50086607
PNG
(CHEMBL341809 | Trifluoro-acetate2-{2-[7-chloro-3-(...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCC[NH2+]2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C29H30ClN5O3/c1-17-11-18(2)13-19(12-17)26-27(38-10-7-20-5-3-4-8-32-20)22-14-21(23(30)15-24(22)34-29(26)37)28(36)35-25-6-9-31-16-33-25/h6,9,11-16,20,32H,3-5,7-8,10H2,1-2H3,(H,34,37)(H,31,33,35,36)/p+1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells stably expressing gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 10: 443-7 (2000)


BindingDB Entry DOI: 10.7270/Q25Q4V99
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50086607
PNG
(CHEMBL341809 | Trifluoro-acetate2-{2-[7-chloro-3-(...)
Show SMILES Cc1cc(C)cc(c1)-c1c(OCCC2CCCC[NH2+]2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C29H30ClN5O3/c1-17-11-18(2)13-19(12-17)26-27(38-10-7-20-5-3-4-8-32-20)22-14-21(23(30)15-24(22)34-29(26)37)28(36)35-25-6-9-31-16-33-25/h6,9,11-16,20,32H,3-5,7-8,10H2,1-2H3,(H,34,37)(H,31,33,35,36)/p+1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells stably expressing gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 10: 443-7 (2000)


BindingDB Entry DOI: 10.7270/Q25Q4V99
More data for this
Ligand-Target Pair