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BDBM39869 (4-methoxyphenyl)-(2-methyl-4-quinolyl)amine;hydrochloride::MLS000027371::N-(4-methoxyphenyl)-2-methyl-4-quinolinamine;hydrochloride::N-(4-methoxyphenyl)-2-methyl-quinolin-4-amine;hydrochloride::N-(4-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride::SMR000036076::cid_2789786

SMILES: COc1ccc(Nc2cc(C)nc3ccccc23)cc1

InChI Key: InChIKey=IDYPPINOEMTNLD-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 39869   
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
Integrin alpha-4


(Homo sapiens (Human))
BDBM39869
PNG
((4-methoxyphenyl)-(2-methyl-4-quinolyl)amine;hydro...)
Show SMILES COc1ccc(Nc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C17H16N2O/c1-12-11-17(15-5-3-4-6-16(15)18-12)19-13-7-9-14(20-2)10-8-13/h3-11H,1-2H3,(H,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.27E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
Assay Support: 1 X01 MH077638-01 MLSCN Assay for Allosteric Ligands for the VLA-4 Integrin PI: SKLAR, LARRY A University of New Mexico Assay Overview...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H130FK
More data for this
Ligand-Target Pair
tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, gamma polypeptide


(Homo sapiens (Human))
BDBM39869
PNG
((4-methoxyphenyl)-(2-methyl-4-quinolyl)amine;hydro...)
Show SMILES COc1ccc(Nc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C17H16N2O/c1-12-11-17(15-5-3-4-6-16(15)18-12)19-13-7-9-14(20-2)10-8-13/h3-11H,1-2H3,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN MLSCN Grant: 1 X01MH78953-01 The 14-3-3 pr...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2V986FT
More data for this
Ligand-Target Pair