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SMILES: CCc1cc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)n(C)n1

InChI Key: InChIKey=QIQFPEHDBGCHHZ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50258159   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50258159
PNG
(2-(4-tert-butylphenyl)-4-(4-((3-ethyl-1-methyl-1H-...)
Show SMILES CCc1cc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)n(C)n1
Show InChI InChI=1S/C28H36N6/c1-6-22-18-23(32(5)31-22)19-33-14-16-34(17-15-33)25-9-7-8-24-26(25)30-27(29-24)20-10-12-21(13-11-20)28(2,3)4/h7-13,18H,6,14-17,19H2,1-5H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Trp6)-GnRH from human GnRH receptor


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50258159
PNG
(2-(4-tert-butylphenyl)-4-(4-((3-ethyl-1-methyl-1H-...)
Show SMILES CCc1cc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)n(C)n1
Show InChI InChI=1S/C28H36N6/c1-6-22-18-23(32(5)31-22)19-33-14-16-34(17-15-33)25-9-7-8-24-26(25)30-27(29-24)20-10-12-21(13-11-20)28(2,3)4/h7-13,18H,6,14-17,19H2,1-5H3,(H,29,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Trp6)-GnRH from rat GnRH receptor


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
More data for this
Ligand-Target Pair