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BDBM49173 (4-aminoquinazolin-2-yl)-phenyl-amine;hydrochloride::2-N-phenylquinazoline-2,4-diamine;hydrochloride::MLS000026767::N*2*-Phenyl-quinazoline-2,4-diamine::N2-phenylquinazoline-2,4-diamine;hydrochloride::SMR000014424::cid_2952123

SMILES: Nc1nc(Nc2ccccc2)nc2ccccc12

InChI Key: InChIKey=OEBBWBXOACRBRL-UHFFFAOYSA-N

Data: 3 IC50  3 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 6 hits for monomerid = 49173   
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
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49173
PNG
((4-aminoquinazolin-2-yl)-phenyl-amine;hydrochlorid...)
Show SMILES Nc1nc(Nc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)17-14(18-13)16-10-6-2-1-3-7-10/h1-9H,(H3,15,16,17,18)
PDB

KEGG

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n/an/an/an/a 1.38E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM49173
PNG
((4-aminoquinazolin-2-yl)-phenyl-amine;hydrochlorid...)
Show SMILES Nc1nc(Nc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)17-14(18-13)16-10-6-2-1-3-7-10/h1-9H,(H3,15,16,17,18)
PDB
MMDB

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n/an/a 2.81E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM49173
PNG
((4-aminoquinazolin-2-yl)-phenyl-amine;hydrochlorid...)
Show SMILES Nc1nc(Nc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)17-14(18-13)16-10-6-2-1-3-7-10/h1-9H,(H3,15,16,17,18)
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2QZ28KG
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM49173
PNG
((4-aminoquinazolin-2-yl)-phenyl-amine;hydrochlorid...)
Show SMILES Nc1nc(Nc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)17-14(18-13)16-10-6-2-1-3-7-10/h1-9H,(H3,15,16,17,18)
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n/an/a 444n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q280517J
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM49173
PNG
((4-aminoquinazolin-2-yl)-phenyl-amine;hydrochlorid...)
Show SMILES Nc1nc(Nc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)17-14(18-13)16-10-6-2-1-3-7-10/h1-9H,(H3,15,16,17,18)
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n/an/an/an/a 160n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24748HT
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM49173
PNG
((4-aminoquinazolin-2-yl)-phenyl-amine;hydrochlorid...)
Show SMILES Nc1nc(Nc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)17-14(18-13)16-10-6-2-1-3-7-10/h1-9H,(H3,15,16,17,18)
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UniProtKB/TrEMBL

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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair