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SMILES: Nc1nc(Nc2ccc(Cl)cc2)nc2ccccc12

InChI Key: InChIKey=WXPPDLYBIBDKHZ-UHFFFAOYSA-N

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 7 hits for monomerid = 44548   
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
Protein Rev [8-24]


(Human immunodeficiency virus 1)
BDBM44548
PNG
((4-aminoquinazolin-2-yl)-(4-chlorophenyl)amine;hyd...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)nc2ccccc12
Show InChI InChI=1S/C14H11ClN4/c15-9-5-7-10(8-6-9)17-14-18-12-4-2-1-3-11(12)13(16)19-14/h1-8H,(H3,16,17,18,19)
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DN43GX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 [1-36]


(Homo sapiens (Human))
BDBM44548
PNG
((4-aminoquinazolin-2-yl)-(4-chlorophenyl)amine;hyd...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)nc2ccccc12
Show InChI InChI=1S/C14H11ClN4/c15-9-5-7-10(8-6-9)17-14-18-12-4-2-1-3-11(12)13(16)19-14/h1-8H,(H3,16,17,18,19)
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n/an/an/an/a 2.13E+3n/an/an/an/a



Sanford-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, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))
BDBM44548
PNG
((4-aminoquinazolin-2-yl)-(4-chlorophenyl)amine;hyd...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)nc2ccccc12
Show InChI InChI=1S/C14H11ClN4/c15-9-5-7-10(8-6-9)17-14-18-12-4-2-1-3-11(12)13(16)19-14/h1-8H,(H3,16,17,18,19)
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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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM44548
PNG
((4-aminoquinazolin-2-yl)-(4-chlorophenyl)amine;hyd...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)nc2ccccc12
Show InChI InChI=1S/C14H11ClN4/c15-9-5-7-10(8-6-9)17-14-18-12-4-2-1-3-11(12)13(16)19-14/h1-8H,(H3,16,17,18,19)
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM44548
PNG
((4-aminoquinazolin-2-yl)-(4-chlorophenyl)amine;hyd...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)nc2ccccc12
Show InChI InChI=1S/C14H11ClN4/c15-9-5-7-10(8-6-9)17-14-18-12-4-2-1-3-11(12)13(16)19-14/h1-8H,(H3,16,17,18,19)
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n/an/an/an/a 1.92E+4n/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
Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))
BDBM44548
PNG
((4-aminoquinazolin-2-yl)-(4-chlorophenyl)amine;hyd...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)nc2ccccc12
Show InChI InChI=1S/C14H11ClN4/c15-9-5-7-10(8-6-9)17-14-18-12-4-2-1-3-11(12)13(16)19-14/h1-8H,(H3,16,17,18,19)
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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))
BDBM44548
PNG
((4-aminoquinazolin-2-yl)-(4-chlorophenyl)amine;hyd...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)nc2ccccc12
Show InChI InChI=1S/C14H11ClN4/c15-9-5-7-10(8-6-9)17-14-18-12-4-2-1-3-11(12)13(16)19-14/h1-8H,(H3,16,17,18,19)
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n/an/a 9.98E+3n/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