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SMILES: CCCCN(CCCC)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1

InChI Key: InChIKey=OOQYHLZERMVFTM-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50101227   
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


(Rattus norvegicus)
BDBM50101227
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butyl...)
Show SMILES CCCCN(CCCC)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H48N4O/c1-5-7-21-40(22-8-6-2)36(41)30-12-13-34-33(26-30)32(35(39-34)31-24-27(3)23-28(4)25-31)16-20-37-17-10-9-11-29-14-18-38-19-15-29/h12-15,18-19,23-26,37,39H,5-11,16-17,20-22H2,1-4H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 240n/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)
BDBM50101227
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butyl...)
Show SMILES CCCCN(CCCC)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H48N4O/c1-5-7-21-40(22-8-6-2)36(41)30-12-13-34-33(26-30)32(35(39-34)31-24-27(3)23-28(4)25-31)16-20-37-17-10-9-11-29-14-18-38-19-15-29/h12-15,18-19,23-26,37,39H,5-11,16-17,20-22H2,1-4H3
KEGG

UniProtKB/SwissProt

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 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