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SMILES: C[C@H](CNCCc1ccncc1)c1c2CNCCc2[nH]c1-c1cc(C)cc(C)c1

InChI Key: InChIKey=CGMXRZJAQKSMCY-LJQANCHMSA-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 = 50213668   
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)		BDBM50213668
PNG
((S)-2-(2-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1...)
Show SMILES C[C@H](CNCCc1ccncc1)c1c2CNCCc2[nH]c1-c1cc(C)cc(C)c1
Show InChI InChI=1S/C25H32N4/c1-17-12-18(2)14-21(13-17)25-24(22-16-28-11-7-23(22)29-25)19(3)15-27-10-6-20-4-8-26-9-5-20/h4-5,8-9,12-14,19,27-29H,6-7,10-11,15-16H2,1-3H3/t19-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR

Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50213668
PNG
((S)-2-(2-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1...)
Show SMILES C[C@H](CNCCc1ccncc1)c1c2CNCCc2[nH]c1-c1cc(C)cc(C)c1
Show InChI InChI=1S/C25H32N4/c1-17-12-18(2)14-21(13-17)25-24(22-16-28-11-7-23(22)29-25)19(3)15-27-10-6-20-4-8-26-9-5-20/h4-5,8-9,12-14,19,27-29H,6-7,10-11,15-16H2,1-3H3/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GnRHR expressed in RBL cells assessed as inhibition of GnRH-stimulated [3H]-inositol phosphate hydrolysis

Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair