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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 = 'BDBM50110611'   
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))
BDBM50110611
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-{(S)-2-[2-(...)
Show SMILES C[C@H](CNCCc1ccc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:27:29:34.35:31.32|
Show InChI InChI=1S/C38H45N5O/c1-23-16-24(2)18-27(17-23)36-35(25(3)21-39-15-14-26-6-12-33-34(19-26)41-22-40-33)31-20-28(7-13-32(31)42-36)38(4,5)37(44)43-29-8-9-30(43)11-10-29/h6-7,12-13,16-20,22,25,29-30,39,42H,8-11,14-15,21H2,1-5H3,(H,40,41)/t25-,29?,30?/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
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50110611
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-[3-{(S)-2-[2-(...)
Show SMILES C[C@H](CNCCc1ccc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:27:29:34.35:31.32|
Show InChI InChI=1S/C38H45N5O/c1-23-16-24(2)18-27(17-23)36-35(25(3)21-39-15-14-26-6-12-33-34(19-26)41-22-40-33)31-20-28(7-13-32(31)42-36)38(4,5)37(44)43-29-8-9-30(43)11-10-29/h6-7,12-13,16-20,22,25,29-30,39,42H,8-11,14-15,21H2,1-5H3,(H,40,41)/t25-,29?,30?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.60n/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