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BDBM37917 4-(4-methyl-1-piperazinyl)-2-(4-pyridinyl)quinazoline::4-(4-methyl-1-piperazinyl)-2-pyridin-4-ylquinazoline::4-(4-methylpiperazin-1-yl)-2-pyridin-4-yl-quinazoline::4-(4-methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline::4-(4-methylpiperazino)-2-(4-pyridyl)quinazoline::MLS000099110::SMR000070500::cid_820817

SMILES: CN1CCN(CC1)c1nc(nc2ccccc12)-c1ccncc1

InChI Key: InChIKey=IETSDDSVFULQJY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 37917   
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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM37917
PNG
(4-(4-methyl-1-piperazinyl)-2-(4-pyridinyl)quinazol...)
Show SMILES CN1CCN(CC1)c1nc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C18H19N5/c1-22-10-12-23(13-11-22)18-15-4-2-3-5-16(15)20-17(21-18)14-6-8-19-9-7-14/h2-9H,10-13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PCBioAssay
n/an/a 2.42E+3n/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)


Article DOI: 10.1021/cc1000488
BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM37917
PNG
(4-(4-methyl-1-piperazinyl)-2-(4-pyridinyl)quinazol...)
Show SMILES CN1CCN(CC1)c1nc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C18H19N5/c1-22-10-12-23(13-11-22)18-15-4-2-3-5-16(15)20-17(21-18)14-6-8-19-9-7-14/h2-9H,10-13H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PCBioAssay
n/an/a 9.78E+3n/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)


Article DOI: 10.1186/2191-2858-2-21
BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair