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BDBM50174971 CHEMBL3810338

SMILES: CCOCc1nc2n(nc(C)c2c(=O)n1Cc1ccccc1)-c1ccccc1

InChI Key: InChIKey=XTVNBESVMFQDMH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50174971   
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 1 (CDK1)


(Homo sapiens (Human))
BDBM50174971
PNG
(CHEMBL3810338)
Show SMILES CCOCc1nc2n(nc(C)c2c(=O)n1Cc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H22N4O2/c1-3-28-15-19-23-21-20(16(2)24-26(21)18-12-8-5-9-13-18)22(27)25(19)14-17-10-6-4-7-11-17/h4-13H,3,14-15H2,1-2H3
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a>1.25E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin)


Bioorg Med Chem Lett 26: 3093-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.004
BindingDB Entry DOI: 10.7270/Q2930W40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50174971
PNG
(CHEMBL3810338)
Show SMILES CCOCc1nc2n(nc(C)c2c(=O)n1Cc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H22N4O2/c1-3-28-15-19-23-21-20(16(2)24-26(21)18-12-8-5-9-13-18)22(27)25(19)14-17-10-6-4-7-11-17/h4-13H,3,14-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>1.25E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of Abl (unknown origin)


Bioorg Med Chem Lett 26: 3093-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.004
BindingDB Entry DOI: 10.7270/Q2930W40
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50174971
PNG
(CHEMBL3810338)
Show SMILES CCOCc1nc2n(nc(C)c2c(=O)n1Cc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H22N4O2/c1-3-28-15-19-23-21-20(16(2)24-26(21)18-12-8-5-9-13-18)22(27)25(19)14-17-10-6-4-7-11-17/h4-13H,3,14-15H2,1-2H3
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.25E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 3093-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.004
BindingDB Entry DOI: 10.7270/Q2930W40
More data for this
Ligand-Target Pair