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SMILES: CCC(CC)(C(=O)N1C2CCC1CC2)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1

InChI Key: InChIKey=JZIPIPBPNKZXLP-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 3 hits for monomerid = 50101245   
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)
BDBM50101245
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...)
Show SMILES CCC(CC)(C(=O)N1C2CCC1CC2)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1 |THB:5:7:9.10:12.13|
Show InChI InChI=1S/C39H50N4O/c1-5-39(6-2,38(44)43-32-11-12-33(43)14-13-32)31-10-15-36-35(26-31)34(37(42-36)30-24-27(3)23-28(4)25-30)18-22-40-19-8-7-9-29-16-20-41-21-17-29/h10,15-17,20-21,23-26,32-33,40,42H,5-9,11-14,18-19,22H2,1-4H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 260n/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)
BDBM50101245
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...)
Show SMILES CCC(CC)(C(=O)N1C2CCC1CC2)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1 |THB:5:7:9.10:12.13|
Show InChI InChI=1S/C39H50N4O/c1-5-39(6-2,38(44)43-32-11-12-33(43)14-13-32)31-10-15-36-35(26-31)34(37(42-36)30-24-27(3)23-28(4)25-30)18-22-40-19-8-7-9-29-16-20-41-21-17-29/h10,15-17,20-21,23-26,32-33,40,42H,5-9,11-14,18-19,22H2,1-4H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.70n/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


(Homo sapiens (Human))
BDBM50101245
PNG
(1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...)
Show SMILES CCC(CC)(C(=O)N1C2CCC1CC2)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1 |THB:5:7:9.10:12.13|
Show InChI InChI=1S/C39H50N4O/c1-5-39(6-2,38(44)43-32-11-12-33(43)14-13-32)31-10-15-36-35(26-31)34(37(42-36)30-24-27(3)23-28(4)25-30)18-22-40-19-8-7-9-29-16-20-41-21-17-29/h10,15-17,20-21,23-26,32-33,40,42H,5-9,11-14,18-19,22H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 40n/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