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BDBM50410001 CHEMBL368233

SMILES: O=C(Nc1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1)C1CC1

InChI Key: InChIKey=BVGGOIHWEOZOKN-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 = 50410001   
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))
BDBM50410001
PNG
(CHEMBL368233)
Show SMILES O=C(Nc1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1)C1CC1
Show InChI InChI=1S/C21H16N4O2S/c26-19(18-5-2-10-28-18)16-12-23-25-17(8-9-22-20(16)25)14-3-1-4-15(11-14)24-21(27)13-6-7-13/h1-5,8-13H,6-7H2,(H,24,27)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.20E+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
CDK-interacting protein 1


(Homo sapiens (Human))
BDBM50410001
PNG
(CHEMBL368233)
Show SMILES O=C(Nc1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1)C1CC1
Show InChI InChI=1S/C21H16N4O2S/c26-19(18-5-2-10-28-18)16-12-23-25-17(8-9-22-20(16)25)14-3-1-4-15(11-14)24-21(27)13-6-7-13/h1-5,8-13H,6-7H2,(H,24,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/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