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

InChI Key: InChIKey=FYXJSQODWMKBFP-UHFFFAOYSA-N

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

Found 3 hits for monomerid = 50101203   
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))
BDBM50101203
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CCN(C(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C33H42N4O/c1-6-37(23(2)3)33(38)27-12-13-31-30(21-27)29(32(36-31)28-19-24(4)18-25(5)20-28)14-17-34-15-8-7-10-26-11-9-16-35-22-26/h9,11-13,16,18-23,34,36H,6-8,10,14-15,17H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 11n/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))
BDBM50101203
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CCN(C(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C33H42N4O/c1-6-37(23(2)3)33(38)27-12-13-31-30(21-27)29(32(36-31)28-19-24(4)18-25(5)20-28)14-17-34-15-8-7-10-26-11-9-16-35-22-26/h9,11-13,16,18-23,34,36H,6-8,10,14-15,17H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 110n/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)
BDBM50101203
PNG
(2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butyl...)
Show SMILES CCN(C(C)C)C(=O)c1ccc2[nH]c(c(CCNCCCCc3cccnc3)c2c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C33H42N4O/c1-6-37(23(2)3)33(38)27-12-13-31-30(21-27)29(32(36-31)28-19-24(4)18-25(5)20-28)14-17-34-15-8-7-10-26-11-9-16-35-22-26/h9,11-13,16,18-23,34,36H,6-8,10,14-15,17H2,1-5H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 830n/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