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SMILES: COc1cccc(c1)-n1nnnc1SCC(=O)Nc1c(C)cc(C)cc1C

InChI Key: InChIKey=MKUKVBGQSYPOND-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 4 hits for monomerid = 91816   
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
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM91816
PNG
(CS81)
Show SMILES COc1cccc(c1)-n1nnnc1SCC(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C19H21N5O2S/c1-12-8-13(2)18(14(3)9-12)20-17(25)11-27-19-21-22-23-24(19)15-6-5-7-16(10-15)26-4/h5-10H,11H2,1-4H3,(H,20,25)
PDB
MMDB

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PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM91816
PNG
(CS81)
Show SMILES COc1cccc(c1)-n1nnnc1SCC(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C19H21N5O2S/c1-12-8-13(2)18(14(3)9-12)20-17(25)11-27-19-21-22-23-24(19)15-6-5-7-16(10-15)26-4/h5-10H,11H2,1-4H3,(H,20,25)
PDB
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D3R
n/an/an/a>1.00E+5n/an/an/an/an/a



D3R



Assay Description
OctetRed_Method1


D3R 220: (2015)


BindingDB Entry DOI: 10.7270/Q21J98M7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM91816
PNG
(CS81)
Show SMILES COc1cccc(c1)-n1nnnc1SCC(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C19H21N5O2S/c1-12-8-13(2)18(14(3)9-12)20-17(25)11-27-19-21-22-23-24(19)15-6-5-7-16(10-15)26-4/h5-10H,11H2,1-4H3,(H,20,25)
PDB
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D3R
n/an/an/a>1.00E+5n/an/an/an/an/a



D3R



Assay Description
OctetRed_Method1


D3R 219: (2015)


BindingDB Entry DOI: 10.7270/Q25B01BH
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM91816
PNG
(CS81)
Show SMILES COc1cccc(c1)-n1nnnc1SCC(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C19H21N5O2S/c1-12-8-13(2)18(14(3)9-12)20-17(25)11-27-19-21-22-23-24(19)15-6-5-7-16(10-15)26-4/h5-10H,11H2,1-4H3,(H,20,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair