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BDBM7773 3-{[(2,2-Dioxido-1,3-dihydro-2-benzothien-5-yl)amino]-methylene}-5-(1,3-oxazol-5-yl)-1,3-dihydro-2H-indol-2-one::5-({[(3Z)-5-(1,3-oxazol-5-yl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}amino)-1,3-dihydro-2-benzothiophene-2,2-dione::Oxindole-Based Inhibitor 109

SMILES: O=C1Nc2ccc(cc2C1C=Nc1ccc2CS(=O)(=O)Cc2c1)-c1cnco1

InChI Key: InChIKey=SJEPMZVFPSMGMK-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 7773   
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 (CDK2)


(Homo sapiens (Human))
BDBM7773
PNG
(3-{[(2,2-Dioxido-1,3-dihydro-2-benzothien-5-yl)ami...)
Show SMILES O=C1Nc2ccc(cc2C1C=Nc1ccc2CS(=O)(=O)Cc2c1)-c1cnco1
Show InChI InChI=1S/C20H15N3O4S/c24-20-17(7-22-15-3-1-13-9-28(25,26)10-14(13)5-15)16-6-12(2-4-18(16)23-20)19-8-21-11-27-19/h1-8,11,17H,9-10H2,(H,23,24)
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PC cid
PC sid
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PDB
Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM7773
PNG
(3-{[(2,2-Dioxido-1,3-dihydro-2-benzothien-5-yl)ami...)
Show SMILES O=C1Nc2ccc(cc2C1C=Nc1ccc2CS(=O)(=O)Cc2c1)-c1cnco1
Show InChI InChI=1S/C20H15N3O4S/c24-20-17(7-22-15-3-1-13-9-28(25,26)10-14(13)5-15)16-6-12(2-4-18(16)23-20)19-8-21-11-27-19/h1-8,11,17H,9-10H2,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair