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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50101221   
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)
BDBM50101221
PNG
(CHEMBL49374 | N-Cyclohexyl-2-{2-(3,5-dimethyl-phen...)
Show SMILES CCN(C1CCCCC1)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C39H52N4O/c1-6-43(33-13-8-7-9-14-33)38(44)39(4,5)32-15-16-36-35(27-32)34(37(42-36)31-25-28(2)24-29(3)26-31)19-23-40-20-11-10-12-30-17-21-41-22-18-30/h15-18,21-22,24-27,33,40,42H,6-14,19-20,23H2,1-5H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50101221
PNG
(CHEMBL49374 | N-Cyclohexyl-2-{2-(3,5-dimethyl-phen...)
Show SMILES CCN(C1CCCCC1)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C39H52N4O/c1-6-43(33-13-8-7-9-14-33)38(44)39(4,5)32-15-16-36-35(27-32)34(37(42-36)31-25-28(2)24-29(3)26-31)19-23-40-20-11-10-12-30-17-21-41-22-18-30/h15-18,21-22,24-27,33,40,42H,6-14,19-20,23H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 54n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated phosphatidyinositol (PI) hydrolysis in cloned chinese hamster ovary (CHO) cells expressing human GnRH receptor.


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101221
PNG
(CHEMBL49374 | N-Cyclohexyl-2-{2-(3,5-dimethyl-phen...)
Show SMILES CCN(C1CCCCC1)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C39H52N4O/c1-6-43(33-13-8-7-9-14-33)38(44)39(4,5)32-15-16-36-35(27-32)34(37(42-36)31-25-28(2)24-29(3)26-31)19-23-40-20-11-10-12-30-17-21-41-22-18-30/h15-18,21-22,24-27,33,40,42H,6-14,19-20,23H2,1-5H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 960n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GnRH-stimulated luteinizing hormone (LH) release in rat pituitary cells


Bioorg Med Chem Lett 11: 1727-31 (2001)


BindingDB Entry DOI: 10.7270/Q2FQ9VW9
More data for this
Ligand-Target Pair