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SMILES: CCN(CC)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1

InChI Key: InChIKey=NOAOFLQCVXNJPA-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 4 hits for monomerid = 50101202   
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)
BDBM50101202
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CCN(CC)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C32H40N4O/c1-5-36(6-2)32(37)26-12-13-30-29(21-26)28(31(35-30)27-19-23(3)18-24(4)20-27)14-17-33-15-8-7-10-25-11-9-16-34-22-25/h9,11-13,16,18-22,33,35H,5-8,10,14-15,17H2,1-4H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 400n/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
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101202
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CCN(CC)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C32H40N4O/c1-5-36(6-2)32(37)26-12-13-30-29(21-26)28(31(35-30)27-19-23(3)18-24(4)20-27)14-17-33-15-8-7-10-25-11-9-16-34-22-25/h9,11-13,16,18-22,33,35H,5-8,10,14-15,17H2,1-4H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat pituitary Gonadotropin-releasing hormone receptor, in the presence of 0.1% bovine serum albumin.


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))
BDBM50101202
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CCN(CC)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C32H40N4O/c1-5-36(6-2)32(37)26-12-13-30-29(21-26)28(31(35-30)27-19-23(3)18-24(4)20-27)14-17-33-15-8-7-10-25-11-9-16-34-22-25/h9,11-13,16,18-22,33,35H,5-8,10,14-15,17H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to human 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))
BDBM50101202
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CCN(CC)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C32H40N4O/c1-5-36(6-2)32(37)26-12-13-30-29(21-26)28(31(35-30)27-19-23(3)18-24(4)20-27)14-17-33-15-8-7-10-25-11-9-16-34-22-25/h9,11-13,16,18-22,33,35H,5-8,10,14-15,17H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 190n/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