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BDBM40936 (2-Cyclopropyl-quinazolin-4-ylsulfanyl)-acetic acid ethyl ester::2-[(2-cyclopropyl-4-quinazolinyl)thio]acetic acid ethyl ester::2-[(2-cyclopropylquinazolin-4-yl)thio]acetic acid ethyl ester::MLS000073695::SMR000003745::cid_644454::ethyl 2-(2-cyclopropylquinazolin-4-yl)sulfanylacetate::ethyl 2-(2-cyclopropylquinazolin-4-yl)sulfanylethanoate

SMILES: CCOC(=O)CSc1nc(nc2ccccc12)C1CC1

InChI Key: InChIKey=LZUVZBWJBCYLMS-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 40936   
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM40936
PNG
((2-Cyclopropyl-quinazolin-4-ylsulfanyl)-acetic aci...)
Show SMILES CCOC(=O)CSc1nc(nc2ccccc12)C1CC1
Show InChI InChI=1S/C15H16N2O2S/c1-2-19-13(18)9-20-15-11-5-3-4-6-12(11)16-14(17-15)10-7-8-10/h3-6,10H,2,7-9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.51E+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 Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
poly(A) binding protein, cytoplasmic 1


(Homo sapiens (Human))
BDBM40936
PNG
((2-Cyclopropyl-quinazolin-4-ylsulfanyl)-acetic aci...)
Show SMILES CCOC(=O)CSc1nc(nc2ccccc12)C1CC1
Show InChI InChI=1S/C15H16N2O2S/c1-2-19-13(18)9-20-15-11-5-3-4-6-12(11)16-14(17-15)10-7-8-10/h3-6,10H,2,7-9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.60E+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, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2V40ST1
More data for this
Ligand-Target Pair
poly(A) binding protein, cytoplasmic 1


(Homo sapiens (Human))
BDBM40936
PNG
((2-Cyclopropyl-quinazolin-4-ylsulfanyl)-acetic aci...)
Show SMILES CCOC(=O)CSc1nc(nc2ccccc12)C1CC1
Show InChI InChI=1S/C15H16N2O2S/c1-2-19-13(18)9-20-15-11-5-3-4-6-12(11)16-14(17-15)10-7-8-10/h3-6,10H,2,7-9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.60E+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, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40936
PNG
((2-Cyclopropyl-quinazolin-4-ylsulfanyl)-acetic aci...)
Show SMILES CCOC(=O)CSc1nc(nc2ccccc12)C1CC1
Show InChI InChI=1S/C15H16N2O2S/c1-2-19-13(18)9-20-15-11-5-3-4-6-12(11)16-14(17-15)10-7-8-10/h3-6,10H,2,7-9H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.95E+4n/an/an/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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair