BindingDB logo
myBDB logout

BDBM91814 CS78

SMILES: COc1ccc(cc1)-c1nnc(SCC(=O)Nc2c(F)cc(F)cc2Br)n1C

InChI Key: InChIKey=DTVCGBAZBYVUER-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 = 91814   
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))
BDBM91814
PNG
(CS78)
Show SMILES COc1ccc(cc1)-c1nnc(SCC(=O)Nc2c(F)cc(F)cc2Br)n1C
Show InChI InChI=1S/C18H15BrF2N4O2S/c1-25-17(10-3-5-12(27-2)6-4-10)23-24-18(25)28-9-15(26)22-16-13(19)7-11(20)8-14(16)21/h3-8H,9H2,1-2H3,(H,22,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)


Article DOI: 10.1007/s10822-012-9554-1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM91814
PNG
(CS78)
Show SMILES COc1ccc(cc1)-c1nnc(SCC(=O)Nc2c(F)cc(F)cc2Br)n1C
Show InChI InChI=1S/C18H15BrF2N4O2S/c1-25-17(10-3-5-12(27-2)6-4-10)23-24-18(25)28-9-15(26)22-16-13(19)7-11(20)8-14(16)21/h3-8H,9H2,1-2H3,(H,22,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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 220: (2015)


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


(Homo sapiens (Human))
BDBM91814
PNG
(CS78)
Show SMILES COc1ccc(cc1)-c1nnc(SCC(=O)Nc2c(F)cc(F)cc2Br)n1C
Show InChI InChI=1S/C18H15BrF2N4O2S/c1-25-17(10-3-5-12(27-2)6-4-10)23-24-18(25)28-9-15(26)22-16-13(19)7-11(20)8-14(16)21/h3-8H,9H2,1-2H3,(H,22,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM91814
PNG
(CS78)
Show SMILES COc1ccc(cc1)-c1nnc(SCC(=O)Nc2c(F)cc(F)cc2Br)n1C
Show InChI InChI=1S/C18H15BrF2N4O2S/c1-25-17(10-3-5-12(27-2)6-4-10)23-24-18(25)28-9-15(26)22-16-13(19)7-11(20)8-14(16)21/h3-8H,9H2,1-2H3,(H,22,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)


Article DOI: 10.1007/s10822-014-9735-1
More data for this
Ligand-Target Pair