BindingDB logo
myBDB logout

BDBM50503353 SU-9516::Su-9516

SMILES: COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1

InChI Key: InChIKey=QNUKRWAIZMBVCU-WCIBSUBMSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50503353   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CDK2/CycE


(Homo sapiens (Human))
BDBM50503353
PNG
(SU-9516 | Su-9516)
Show SMILES COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany ASCR

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/cyclin E (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [gam...


J Med Chem 61: 9105-9120 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00049
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50503353
PNG
(SU-9516 | Su-9516)
Show SMILES COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany ASCR

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged CDK2/cyclin A2 (unknown origin) expressed in Escherichia coli using histone H1 as substrate in presence of [gamma-33P]-ATP b...


J Med Chem 61: 9105-9120 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00049
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50503353
PNG
(SU-9516 | Su-9516)
Show SMILES COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany ASCR

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged CDK4/cyclin D1 (unknown origin) expressed in Baculovirus infected Sf9 cells using RPPTLSPIPHIPR peptide as substrate in pres...


J Med Chem 61: 9105-9120 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00049
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50503353
PNG
(SU-9516 | Su-9516)
Show SMILES COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 168n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany ASCR

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK1/cyclin B1 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [ga...


J Med Chem 61: 9105-9120 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00049
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50503353
PNG
(SU-9516 | Su-9516)
Show SMILES COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany ASCR

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged CDK9/CyclinT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as substr...


J Med Chem 61: 9105-9120 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00049
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM50503353
PNG
(SU-9516 | Su-9516)
Show SMILES COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 905n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany ASCR

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged CDK7/cyclinH/MAT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as su...


J Med Chem 61: 9105-9120 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00049
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50503353
PNG
(SU-9516 | Su-9516)
Show SMILES COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany ASCR

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged CDK5/p25 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate as substrate in presence...


J Med Chem 61: 9105-9120 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00049
More data for this
Ligand-Target Pair