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BDBM41064 Cyclohexanecarboxylic acid N'-[2-(2-ethyl-quinazolin-4-ylsulfanyl)-acetyl]-hydrazide::MLS000556663::N'-[2-(2-ethylquinazolin-4-yl)sulfanylacetyl]cyclohexanecarbohydrazide::N'-[2-(2-ethylquinazolin-4-yl)sulfanylethanoyl]cyclohexanecarbohydrazide::N'-[2-[(2-ethyl-4-quinazolinyl)thio]-1-oxoethyl]cyclohexanecarbohydrazide::N'-[2-[(2-ethylquinazolin-4-yl)thio]acetyl]cyclohexanecarbohydrazide::SMR000172939::cid_1435013

SMILES: CCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1

InChI Key: InChIKey=GKWDCDIUUPYSEC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 41064   
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))
BDBM41064
PNG
(Cyclohexanecarboxylic acid N'-[2-(2-ethyl-quin...)
Show SMILES CCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1
Show InChI InChI=1S/C19H24N4O2S/c1-2-16-20-15-11-7-6-10-14(15)19(21-16)26-12-17(24)22-23-18(25)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,22,24)(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.04E+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 Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens (Human))
BDBM41064
PNG
(Cyclohexanecarboxylic acid N'-[2-(2-ethyl-quin...)
Show SMILES CCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1
Show InChI InChI=1S/C19H24N4O2S/c1-2-16-20-15-11-7-6-10-14(15)19(21-16)26-12-17(24)22-23-18(25)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,22,24)(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.18E+3n/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 (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41064
PNG
(Cyclohexanecarboxylic acid N'-[2-(2-ethyl-quin...)
Show SMILES CCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1
Show InChI InChI=1S/C19H24N4O2S/c1-2-16-20-15-11-7-6-10-14(15)19(21-16)26-12-17(24)22-23-18(25)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,22,24)(H,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

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