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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 = 'BDBM50110627'   
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))
BDBM50110627
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimeth...)
Show SMILES C[C@H](CNCCc1cnc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:27:29:34.35:31.32|
Show InChI InChI=1S/C37H44N6O/c1-22-14-23(2)16-26(15-22)34-33(24(3)19-38-13-12-25-17-32-35(39-20-25)41-21-40-32)30-18-27(6-11-31(30)42-34)37(4,5)36(44)43-28-7-8-29(43)10-9-28/h6,11,14-18,20-21,24,28-29,38,42H,7-10,12-13,19H2,1-5H3,(H,39,40,41)/t24-,28?,29?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.400n/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))
BDBM50110627
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimeth...)
Show SMILES C[C@H](CNCCc1cnc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:27:29:34.35:31.32|
Show InChI InChI=1S/C37H44N6O/c1-22-14-23(2)16-26(15-22)34-33(24(3)19-38-13-12-25-17-32-35(39-20-25)41-21-40-32)30-18-27(6-11-31(30)42-34)37(4,5)36(44)43-28-7-8-29(43)10-9-28/h6,11,14-18,20-21,24,28-29,38,42H,7-10,12-13,19H2,1-5H3,(H,39,40,41)/t24-,28?,29?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor


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


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