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BDBM91747 CS152

SMILES: CN(CC(=O)N1CCC(CC1)C(N)=O)S(=O)(=O)c1c(C)cc(C)cc1C

InChI Key: InChIKey=GLCLYTZPOSDWNZ-UHFFFAOYSA-N

Data: 4 Kd

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 = 91747   
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))
BDBM91747
PNG
(CS152)
Show SMILES CN(CC(=O)N1CCC(CC1)C(N)=O)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C18H27N3O4S/c1-12-9-13(2)17(14(3)10-12)26(24,25)20(4)11-16(22)21-7-5-15(6-8-21)18(19)23/h9-10,15H,5-8,11H2,1-4H3,(H2,19,23)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
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))
BDBM91747
PNG
(CS152)
Show SMILES CN(CC(=O)N1CCC(CC1)C(N)=O)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C18H27N3O4S/c1-12-9-13(2)17(14(3)10-12)26(24,25)20(4)11-16(22)21-7-5-15(6-8-21)18(19)23/h9-10,15H,5-8,11H2,1-4H3,(H2,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
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))
BDBM91747
PNG
(CS152)
Show SMILES CN(CC(=O)N1CCC(CC1)C(N)=O)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C18H27N3O4S/c1-12-9-13(2)17(14(3)10-12)26(24,25)20(4)11-16(22)21-7-5-15(6-8-21)18(19)23/h9-10,15H,5-8,11H2,1-4H3,(H2,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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))
BDBM91747
PNG
(CS152)
Show SMILES CN(CC(=O)N1CCC(CC1)C(N)=O)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C18H27N3O4S/c1-12-9-13(2)17(14(3)10-12)26(24,25)20(4)11-16(22)21-7-5-15(6-8-21)18(19)23/h9-10,15H,5-8,11H2,1-4H3,(H2,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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