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BDBM50132409 4-(6,7-Dimethoxy-quinoxalin-2-ylamino)-cyclohexanecarboxylic acid methyl ester::CHEMBL321276

SMILES: COC(=O)C1CCC(CC1)Nc1cnc2cc(OC)c(OC)cc2n1

InChI Key: InChIKey=FTXKUBNATJTYSH-UHFFFAOYSA-N

Data: 3 IC50

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 = 50132409   
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
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50132409
PNG
(4-(6,7-Dimethoxy-quinoxalin-2-ylamino)-cyclohexane...)
Show SMILES COC(=O)C1CCC(CC1)Nc1cnc2cc(OC)c(OC)cc2n1 |(8.36,2.63,;7.03,3.39,;5.7,2.62,;5.71,1.09,;4.37,3.39,;4.36,4.92,;3.03,5.69,;1.71,4.92,;1.71,3.37,;3.03,2.62,;.38,5.68,;-.95,4.9,;-.95,3.35,;-2.28,2.57,;-3.62,3.34,;-4.95,2.57,;-6.27,3.34,;-7.62,2.57,;-7.62,1.04,;-6.27,4.89,;-7.62,5.67,;-8.95,4.89,;-4.95,5.67,;-3.62,4.89,;-2.3,5.67,)|
Show InChI InChI=1S/C18H23N3O4/c1-23-15-8-13-14(9-16(15)24-2)21-17(10-19-13)20-12-6-4-11(5-7-12)18(22)25-3/h8-12H,4-7H2,1-3H3,(H,20,21)
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n/an/a 49n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3097-100 (2003)


BindingDB Entry DOI: 10.7270/Q2HH6JGM
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50132409
PNG
(4-(6,7-Dimethoxy-quinoxalin-2-ylamino)-cyclohexane...)
Show SMILES COC(=O)C1CCC(CC1)Nc1cnc2cc(OC)c(OC)cc2n1 |(8.36,2.63,;7.03,3.39,;5.7,2.62,;5.71,1.09,;4.37,3.39,;4.36,4.92,;3.03,5.69,;1.71,4.92,;1.71,3.37,;3.03,2.62,;.38,5.68,;-.95,4.9,;-.95,3.35,;-2.28,2.57,;-3.62,3.34,;-4.95,2.57,;-6.27,3.34,;-7.62,2.57,;-7.62,1.04,;-6.27,4.89,;-7.62,5.67,;-8.95,4.89,;-4.95,5.67,;-3.62,4.89,;-2.3,5.67,)|
Show InChI InChI=1S/C18H23N3O4/c1-23-15-8-13-14(9-16(15)24-2)21-17(10-19-13)20-12-6-4-11(5-7-12)18(22)25-3/h8-12H,4-7H2,1-3H3,(H,20,21)
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PubMed
n/an/a 345n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3097-100 (2003)


BindingDB Entry DOI: 10.7270/Q2HH6JGM
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50132409
PNG
(4-(6,7-Dimethoxy-quinoxalin-2-ylamino)-cyclohexane...)
Show SMILES COC(=O)C1CCC(CC1)Nc1cnc2cc(OC)c(OC)cc2n1 |(8.36,2.63,;7.03,3.39,;5.7,2.62,;5.71,1.09,;4.37,3.39,;4.36,4.92,;3.03,5.69,;1.71,4.92,;1.71,3.37,;3.03,2.62,;.38,5.68,;-.95,4.9,;-.95,3.35,;-2.28,2.57,;-3.62,3.34,;-4.95,2.57,;-6.27,3.34,;-7.62,2.57,;-7.62,1.04,;-6.27,4.89,;-7.62,5.67,;-8.95,4.89,;-4.95,5.67,;-3.62,4.89,;-2.3,5.67,)|
Show InChI InChI=1S/C18H23N3O4/c1-23-15-8-13-14(9-16(15)24-2)21-17(10-19-13)20-12-6-4-11(5-7-12)18(22)25-3/h8-12H,4-7H2,1-3H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 28n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor


Bioorg Med Chem Lett 13: 3097-100 (2003)


BindingDB Entry DOI: 10.7270/Q2HH6JGM
More data for this
Ligand-Target Pair