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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 = 'BDBM50110606'   
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))
BDBM50110606
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-{(S)-2-[2-(...)
Show SMILES C[C@H](CNCCc1ccc2nn[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:27:29:31.32:35.34|
Show InChI InChI=1S/C37H44N6O/c1-22-16-23(2)18-26(17-22)35-34(24(3)21-38-15-14-25-6-12-32-33(19-25)41-42-40-32)30-20-27(7-13-31(30)39-35)37(4,5)36(44)43-28-8-9-29(43)11-10-28/h6-7,12-13,16-20,24,28-29,38-39H,8-11,14-15,21H2,1-5H3,(H,40,41,42)/t24-,28?,29?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis


Bioorg Med Chem Lett 12: 827-32 (2002)


BindingDB Entry DOI: 10.7270/Q2G73D1X
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50110606
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-{(S)-2-[2-(...)
Show SMILES C[C@H](CNCCc1ccc2nn[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:27:29:31.32:35.34|
Show InChI InChI=1S/C37H44N6O/c1-22-16-23(2)18-26(17-22)35-34(24(3)21-38-15-14-25-6-12-32-33(19-25)41-42-40-32)30-20-27(7-13-31(30)39-35)37(4,5)36(44)43-28-8-9-29(43)11-10-28/h6-7,12-13,16-20,24,28-29,38-39H,8-11,14-15,21H2,1-5H3,(H,40,41,42)/t24-,28?,29?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis


Bioorg Med Chem Lett 12: 827-32 (2002)


BindingDB Entry DOI: 10.7270/Q2G73D1X
More data for this
Ligand-Target Pair