BindingDB logo
myBDB logout

BDBM50016166 CHEMBL3261517

SMILES: COc1ccc(-c2nc(sc2C(N)=O)-c2ccnc(N)n2)c(Cl)c1

InChI Key: InChIKey=VCUXVXLUOHDHKK-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50016166   
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
Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50016166
PNG
(CHEMBL3261517)
Show SMILES COc1ccc(-c2nc(sc2C(N)=O)-c2ccnc(N)n2)c(Cl)c1
Show InChI InChI=1S/C15H12ClN5O2S/c1-23-7-2-3-8(9(16)6-7)11-12(13(17)22)24-14(21-11)10-4-5-19-15(18)20-10/h2-6H,1H3,(H2,17,22)(H2,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.80n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated phosphorylation of MCM2 by protein-A luminescent proximity homogenous assay


Eur J Med Chem 80: 364-82 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.013
BindingDB Entry DOI: 10.7270/Q2NC62R8
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50016166
PNG
(CHEMBL3261517)
Show SMILES COc1ccc(-c2nc(sc2C(N)=O)-c2ccnc(N)n2)c(Cl)c1
Show InChI InChI=1S/C15H12ClN5O2S/c1-23-7-2-3-8(9(16)6-7)11-12(13(17)22)24-14(21-11)10-4-5-19-15(18)20-10/h2-6H,1H3,(H2,17,22)(H2,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.06E+4n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin-E (unknown origin) using maltose binding protein as substrate by HTRF assay


Eur J Med Chem 80: 364-82 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.013
BindingDB Entry DOI: 10.7270/Q2NC62R8
More data for this
Ligand-Target Pair
Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50016166
PNG
(CHEMBL3261517)
Show SMILES COc1ccc(-c2nc(sc2C(N)=O)-c2ccnc(N)n2)c(Cl)c1
Show InChI InChI=1S/C15H12ClN5O2S/c1-23-7-2-3-8(9(16)6-7)11-12(13(17)22)24-14(21-11)10-4-5-19-15(18)20-10/h2-6H,1H3,(H2,17,22)(H2,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 862n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 in human HCT116 cells assessed as reduction of MCM2 phosphorylation after 14 hrs


Eur J Med Chem 80: 364-82 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.013
BindingDB Entry DOI: 10.7270/Q2NC62R8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM50016166
PNG
(CHEMBL3261517)
Show SMILES COc1ccc(-c2nc(sc2C(N)=O)-c2ccnc(N)n2)c(Cl)c1
Show InChI InChI=1S/C15H12ClN5O2S/c1-23-7-2-3-8(9(16)6-7)11-12(13(17)22)24-14(21-11)10-4-5-19-15(18)20-10/h2-6H,1H3,(H2,17,22)(H2,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin-B (unknown origin) by homogeneous time-resolved fluorescence assay


Eur J Med Chem 80: 364-82 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.013
BindingDB Entry DOI: 10.7270/Q2NC62R8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50016166
PNG
(CHEMBL3261517)
Show SMILES COc1ccc(-c2nc(sc2C(N)=O)-c2ccnc(N)n2)c(Cl)c1
Show InChI InChI=1S/C15H12ClN5O2S/c1-23-7-2-3-8(9(16)6-7)11-12(13(17)22)24-14(21-11)10-4-5-19-15(18)20-10/h2-6H,1H3,(H2,17,22)(H2,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) by homogeneous time-resolved fluorescence assay


Eur J Med Chem 80: 364-82 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.013
BindingDB Entry DOI: 10.7270/Q2NC62R8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50016166
PNG
(CHEMBL3261517)
Show SMILES COc1ccc(-c2nc(sc2C(N)=O)-c2ccnc(N)n2)c(Cl)c1
Show InChI InChI=1S/C15H12ClN5O2S/c1-23-7-2-3-8(9(16)6-7)11-12(13(17)22)24-14(21-11)10-4-5-19-15(18)20-10/h2-6H,1H3,(H2,17,22)(H2,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 729n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin-T1 (unknown origin) by homogeneous time-resolved fluorescence assay


Eur J Med Chem 80: 364-82 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.013
BindingDB Entry DOI: 10.7270/Q2NC62R8
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50016166
PNG
(CHEMBL3261517)
Show SMILES COc1ccc(-c2nc(sc2C(N)=O)-c2ccnc(N)n2)c(Cl)c1
Show InChI InChI=1S/C15H12ClN5O2S/c1-23-7-2-3-8(9(16)6-7)11-12(13(17)22)24-14(21-11)10-4-5-19-15(18)20-10/h2-6H,1H3,(H2,17,22)(H2,18,19,20)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 545n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha (unknown origin) by TR-FRET assay


Eur J Med Chem 80: 364-82 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.013
BindingDB Entry DOI: 10.7270/Q2NC62R8
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50016166
PNG
(CHEMBL3261517)
Show SMILES COc1ccc(-c2nc(sc2C(N)=O)-c2ccnc(N)n2)c(Cl)c1
Show InChI InChI=1S/C15H12ClN5O2S/c1-23-7-2-3-8(9(16)6-7)11-12(13(17)22)24-14(21-11)10-4-5-19-15(18)20-10/h2-6H,1H3,(H2,17,22)(H2,18,19,20)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 104n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CK1delta (unknown origin) by TR-FRET assay


Eur J Med Chem 80: 364-82 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.013
BindingDB Entry DOI: 10.7270/Q2NC62R8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50016166
PNG
(CHEMBL3261517)
Show SMILES COc1ccc(-c2nc(sc2C(N)=O)-c2ccnc(N)n2)c(Cl)c1
Show InChI InChI=1S/C15H12ClN5O2S/c1-23-7-2-3-8(9(16)6-7)11-12(13(17)22)24-14(21-11)10-4-5-19-15(18)20-10/h2-6H,1H3,(H2,17,22)(H2,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin-D1 (unknown origin) by homogeneous time-resolved fluorescence assay


Eur J Med Chem 80: 364-82 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.013
BindingDB Entry DOI: 10.7270/Q2NC62R8
More data for this
Ligand-Target Pair