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BDBM50410003 CHEMBL179730

SMILES: COc1cc(cc(OC)c1OC)-c1nc2sc3CCCCc3c2c(=O)[nH]1

InChI Key: InChIKey=ONVWUSUHIHLQTL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50410003   
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
CDK-interacting protein 1


(Homo sapiens (Human))
BDBM50410003
PNG
(CHEMBL179730)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C19H20N2O4S/c1-23-12-8-10(9-13(24-2)16(12)25-3)17-20-18(22)15-11-6-4-5-7-14(11)26-19(15)21-17/h8-9H,4-7H2,1-3H3,(H,20,21,22)
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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against p21 deficient cell (p21-/-) proliferation


Bioorg Med Chem Lett 15: 3763-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.127
BindingDB Entry DOI: 10.7270/Q2XG9SB7
More data for this
Ligand-Target Pair
CDK-interacting protein 1


(Homo sapiens (Human))
BDBM50410003
PNG
(CHEMBL179730)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C19H20N2O4S/c1-23-12-8-10(9-13(24-2)16(12)25-3)17-20-18(22)15-11-6-4-5-7-14(11)26-19(15)21-17/h8-9H,4-7H2,1-3H3,(H,20,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human p21 deficient cell (p21+/+) proliferation


Bioorg Med Chem Lett 15: 3763-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.127
BindingDB Entry DOI: 10.7270/Q2XG9SB7
More data for this
Ligand-Target Pair