BindingDB logo
myBDB logout

PubMed code 20097066

Compile data set for download or QSAR
Found 53 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306888
PNG
(4,6-dimethoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline...)
Show SMILES COc1ccc2nc3[nH]nc(C)c3c(OC)c2c1
Show InChI InChI=1S/C13H13N3O2/c1-7-11-12(18-3)9-6-8(17-2)4-5-10(9)14-13(11)16-15-7/h4-6H,1-3H3,(H,14,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306874
PNG
(8-Hydroxy-6H-benzo[f][1,3]dioxolo[4',5':4,5]benzo[...)
Show SMILES Oc1cccc2c1cc1NC(=O)c3cc4OCOc4c2c13
Show InChI InChI=1S/C16H9NO4/c18-11-3-1-2-7-8(11)4-10-13-9(16(19)17-10)5-12-15(14(7)13)21-6-20-12/h1-5,18H,6H2,(H,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50197834
PNG
(2,9-dihydroxy-1-methoxydibenzo[cd,f]indol-4(5H)-on...)
Show SMILES COc1c(O)cc2C(=O)Nc3cc4ccc(O)cc4c1c23
Show InChI InChI=1S/C16H11NO4/c1-21-15-12(19)6-10-13-11(17-16(10)20)4-7-2-3-8(18)5-9(7)14(13)15/h2-6,18-19H,1H3,(H,17,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50197834
PNG
(2,9-dihydroxy-1-methoxydibenzo[cd,f]indol-4(5H)-on...)
Show SMILES COc1c(O)cc2C(=O)Nc3cc4ccc(O)cc4c1c23
Show InChI InChI=1S/C16H11NO4/c1-21-15-12(19)6-10-13-11(17-16(10)20)4-7-2-3-8(18)5-9(7)14(13)15/h2-6,18-19H,1H3,(H,17,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDC2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50306888
PNG
(4,6-dimethoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline...)
Show SMILES COc1ccc2nc3[nH]nc(C)c3c(OC)c2c1
Show InChI InChI=1S/C13H13N3O2/c1-7-11-12(18-3)9-6-8(17-2)4-5-10(9)14-13(11)16-15-7/h4-6H,1-3H3,(H,14,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDC2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50306874
PNG
(8-Hydroxy-6H-benzo[f][1,3]dioxolo[4',5':4,5]benzo[...)
Show SMILES Oc1cccc2c1cc1NC(=O)c3cc4OCOc4c2c13
Show InChI InChI=1S/C16H9NO4/c18-11-3-1-2-7-8(11)4-10-13-9(16(19)17-10)5-12-15(14(7)13)21-6-20-12/h1-5,18H,6H2,(H,17,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 214n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDC2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306869
PNG
(8-Methoxy-6H-benzo[f][1,3]dioxolo[4',5':4,5]benzo[...)
Show SMILES COc1cccc2c1cc1NC(=O)c3cc4OCOc4c2c13
Show InChI InChI=1S/C17H11NO4/c1-20-12-4-2-3-8-9(12)5-11-14-10(17(19)18-11)6-13-16(15(8)14)22-7-21-13/h2-6H,7H2,1H3,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50306874
PNG
(8-Hydroxy-6H-benzo[f][1,3]dioxolo[4',5':4,5]benzo[...)
Show SMILES Oc1cccc2c1cc1NC(=O)c3cc4OCOc4c2c13
Show InChI InChI=1S/C16H9NO4/c18-11-3-1-2-7-8(11)4-10-13-9(16(19)17-10)5-12-15(14(7)13)21-6-20-12/h1-5,18H,6H2,(H,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.42E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK4


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50197834
PNG
(2,9-dihydroxy-1-methoxydibenzo[cd,f]indol-4(5H)-on...)
Show SMILES COc1c(O)cc2C(=O)Nc3cc4ccc(O)cc4c1c23
Show InChI InChI=1S/C16H11NO4/c1-21-15-12(19)6-10-13-11(17-16(10)20)4-7-2-3-8(18)5-9(7)14(13)15/h2-6,18-19H,1H3,(H,17,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK4


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50306874
PNG
(8-Hydroxy-6H-benzo[f][1,3]dioxolo[4',5':4,5]benzo[...)
Show SMILES Oc1cccc2c1cc1NC(=O)c3cc4OCOc4c2c13
Show InChI InChI=1S/C16H9NO4/c18-11-3-1-2-7-8(11)4-10-13-9(16(19)17-10)5-12-15(14(7)13)21-6-20-12/h1-5,18H,6H2,(H,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.14E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of AUR2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306877
PNG
(10-Hydroxy-6H-benzo[f][1,3]dioxolo[4',5':4,5]benzo...)
Show SMILES Oc1ccc2cc3NC(=O)c4cc5OCOc5c(c34)c2c1
Show InChI InChI=1S/C16H9NO4/c18-8-2-1-7-3-11-13-10(16(19)17-11)5-12-15(21-6-20-12)14(13)9(7)4-8/h1-5,18H,6H2,(H,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.15E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306872
PNG
(9-Hydroxy-8-methoxy-6H-benzo[f][1,3]dioxolo[4',5':...)
Show SMILES COc1c(O)ccc2c1cc1NC(=O)c3cc4OCOc4c2c13
Show InChI InChI=1S/C17H11NO5/c1-21-15-8-4-10-13-9(17(20)18-10)5-12-16(23-6-22-12)14(13)7(8)2-3-11(15)19/h2-5,19H,6H2,1H3,(H,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50306888
PNG
(4,6-dimethoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline...)
Show SMILES COc1ccc2nc3[nH]nc(C)c3c(OC)c2c1
Show InChI InChI=1S/C13H13N3O2/c1-7-11-12(18-3)9-6-8(17-2)4-5-10(9)14-13(11)16-15-7/h4-6H,1-3H3,(H,14,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of AUR2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50197834
PNG
(2,9-dihydroxy-1-methoxydibenzo[cd,f]indol-4(5H)-on...)
Show SMILES COc1c(O)cc2C(=O)Nc3cc4ccc(O)cc4c1c23
Show InChI InChI=1S/C16H11NO4/c1-21-15-12(19)6-10-13-11(17-16(10)20)4-7-2-3-8(18)5-9(7)14(13)15/h2-6,18-19H,1H3,(H,17,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of AUR2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306866
PNG
(3,4,8-trihydroxy-10-nitrophenanthrene-1-carboxylic...)
Show SMILES OC(=O)c1cc(O)c(O)c2c1c(cc1c(O)cccc21)[N+]([O-])=O
Show InChI InChI=1S/C15H9NO7/c17-10-3-1-2-6-7(10)4-9(16(22)23)12-8(15(20)21)5-11(18)14(19)13(6)12/h1-5,17-19H,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50306888
PNG
(4,6-dimethoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline...)
Show SMILES COc1ccc2nc3[nH]nc(C)c3c(OC)c2c1
Show InChI InChI=1S/C13H13N3O2/c1-7-11-12(18-3)9-6-8(17-2)4-5-10(9)14-13(11)16-15-7/h4-6H,1-3H3,(H,14,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK4


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306884
PNG
(6-chloro-1,2-dihydroxy-7-methoxydibenzo[cd,f]indol...)
Show SMILES COc1cccc2c1c(Cl)c1NC(=O)c3cc(O)c(O)c2c13
Show InChI InChI=1S/C16H10ClNO4/c1-22-9-4-2-3-6-10(9)13(17)14-11-7(16(21)18-14)5-8(19)15(20)12(6)11/h2-5,19-20H,1H3,(H,18,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306888
PNG
(4,6-dimethoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline...)
Show SMILES COc1ccc2nc3[nH]nc(C)c3c(OC)c2c1
Show InChI InChI=1S/C13H13N3O2/c1-7-11-12(18-3)9-6-8(17-2)4-5-10(9)14-13(11)16-15-7/h4-6H,1-3H3,(H,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.14E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306863
PNG
(3,4-dihydroxy-10-nitrophenanthrene-1-carboxylic ac...)
Show SMILES OC(=O)c1cc(O)c(O)c2c1c(cc1ccccc21)[N+]([O-])=O
Show InChI InChI=1S/C15H9NO6/c17-11-6-9(15(19)20)12-10(16(21)22)5-7-3-1-2-4-8(7)13(12)14(11)18/h1-6,17-18H,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.34E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306861
PNG
(CHEMBL601026 | aristolochic acid III)
Show SMILES OC(=O)c1cc2OCOc2c2c3cccc(O)c3cc([N+]([O-])=O)c12
Show InChI InChI=1S/C16H9NO7/c18-11-3-1-2-7-8(11)4-10(17(21)22)13-9(16(19)20)5-12-15(14(7)13)24-6-23-12/h1-5,18H,6H2,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306868
PNG
(6H-Benzo[f][1,3]dioxolo[4',5':4,5]benzo[1,2,3-cd]i...)
Show SMILES O=C1Nc2cc3ccccc3c3c4OCOc4cc1c23
Show InChI InChI=1S/C16H9NO3/c18-16-10-6-12-15(20-7-19-12)14-9-4-2-1-3-8(9)5-11(17-16)13(10)14/h1-6H,7H2,(H,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306871
PNG
(8,10-Dimethoxy-6H-benzo[f][1,3]dioxolo[4',5':4,5]b...)
Show SMILES COc1cc(OC)c2cc3NC(=O)c4cc5OCOc5c(c34)c2c1
Show InChI InChI=1S/C18H13NO5/c1-21-8-3-10-9(13(4-8)22-2)5-12-15-11(18(20)19-12)6-14-17(16(10)15)24-7-23-14/h3-6H,7H2,1-2H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306870
PNG
(8,9-Dimethoxy-6H-benzo[f][1,3]dioxolo[4',5':4,5]be...)
Show SMILES COc1ccc2c(cc3NC(=O)c4cc5OCOc5c2c34)c1OC
Show InChI InChI=1S/C18H13NO5/c1-21-12-4-3-8-9(16(12)22-2)5-11-14-10(18(20)19-11)6-13-17(15(8)14)24-7-23-13/h3-6H,7H2,1-2H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306867
PNG
(9-chloro-3,4-dihydroxy-8-methoxy-10-nitrophenanthr...)
Show SMILES COc1cccc2c1c(Cl)c([N+]([O-])=O)c1c(cc(O)c(O)c21)C(O)=O
Show InChI InChI=1S/C16H10ClNO7/c1-25-9-4-2-3-6-10(9)13(17)14(18(23)24)11-7(16(21)22)5-8(19)15(20)12(6)11/h2-5,19-20H,1H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.65E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306864
PNG
(9-chloro-3,4-dihydroxy-10-nitrophenanthrene-1-carb...)
Show SMILES OC(=O)c1cc(O)c(O)c2c1c(c(Cl)c1ccccc21)[N+]([O-])=O
Show InChI InChI=1S/C15H8ClNO6/c16-12-7-4-2-1-3-6(7)11-10(13(12)17(22)23)8(15(20)21)5-9(18)14(11)19/h1-5,18-19H,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306854
PNG
(CHEMBL602280 | aristolochic acid II)
Show SMILES OC(=O)c1cc2OCOc2c2c3ccccc3cc([N+]([O-])=O)c12
Show InChI InChI=1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

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



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306862
PNG
(10-methoxy-6-nitrophenanthro[4,3-d][1,3]dioxole-5-...)
Show SMILES COc1ccc2cc([N+]([O-])=O)c3c(cc4OCOc4c3c2c1)C(O)=O
Show InChI InChI=1S/C17H11NO7/c1-23-9-3-2-8-4-12(18(21)22)14-11(17(19)20)6-13-16(25-7-24-13)15(14)10(8)5-9/h2-6H,7H2,1H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306856
PNG
(7-methoxy aristolochic acid A | CHEMBL601663)
Show SMILES COc1cccc2c1c(OC)c([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O
Show InChI InChI=1S/C18H13NO8/c1-24-10-5-3-4-8-12(10)17(25-2)15(19(22)23)13-9(18(20)21)6-11-16(14(8)13)27-7-26-11/h3-6H,7H2,1-2H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306855
PNG
(8-Methoxy-6-nitro-phenanthro[3,4-d][1,3]dioxole-5-...)
Show SMILES COc1cccc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O
Show InChI InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents

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



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306857
PNG
(Aristolochic acid IV | CHEMBL465004)
Show SMILES COc1cc(OC)c2cc([N+]([O-])=O)c3c(cc4OCOc4c3c2c1)C(O)=O
Show InChI InChI=1S/C18H13NO8/c1-24-8-3-10-9(13(4-8)25-2)5-12(19(22)23)15-11(18(20)21)6-14-17(16(10)15)27-7-26-14/h3-6H,7H2,1-2H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306860
PNG
(CHEMBL604748 | aristolochic D)
Show SMILES COc1cc(O)cc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O
Show InChI InChI=1S/C17H11NO8/c1-24-12-3-7(19)2-9-8(12)4-11(18(22)23)14-10(17(20)21)5-13-16(15(9)14)26-6-25-13/h2-5,19H,6H2,1H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306859
PNG
(7-hydroxy aristolochic A | 9-HYDROXY ARISTOLOCHIC ...)
Show SMILES COc1c(O)ccc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O
Show InChI InChI=1S/C17H11NO8/c1-24-15-8-4-10(18(22)23)13-9(17(20)21)5-12-16(26-6-25-12)14(13)7(8)2-3-11(15)19/h2-5,19H,6H2,1H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306881
PNG
(6-Chloro-1,2-dihydroxy-5H-dibenzo[cd,f]indol-4-one...)
Show SMILES Oc1cc2C(=O)Nc3c(Cl)c4ccccc4c(c1O)c23
Show InChI InChI=1S/C15H8ClNO3/c16-12-7-4-2-1-3-6(7)11-10-8(5-9(18)14(11)19)15(20)17-13(10)12/h1-5,18-19H,(H,17,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306865
PNG
(3,4-dihydroxy-8-methoxy-10-nitrophenanthrene-1-car...)
Show SMILES COc1cccc2c1cc([N+]([O-])=O)c1c(cc(O)c(O)c21)C(O)=O
Show InChI InChI=1S/C16H11NO7/c1-24-12-4-2-3-7-8(12)5-10(17(22)23)13-9(16(20)21)6-11(18)15(19)14(7)13/h2-6,18-19H,1H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306875
PNG
(8,9-Dihydroxy-6H-benzo[f][1,3]dioxolo[4',5':4,5]be...)
Show SMILES Oc1ccc2c(cc3NC(=O)c4cc5OCOc5c2c34)c1O
Show InChI InChI=1S/C16H9NO5/c18-10-2-1-6-7(14(10)19)3-9-12-8(16(20)17-9)4-11-15(13(6)12)22-5-21-11/h1-4,18-19H,5H2,(H,17,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306858
PNG
(CHEMBL603494 | aristolochic acid C)
Show SMILES OC(=O)c1cc2OCOc2c2c3cc(O)ccc3cc([N+]([O-])=O)c12
Show InChI InChI=1S/C16H9NO7/c18-8-2-1-7-3-11(17(21)22)13-10(16(19)20)5-12-15(24-6-23-12)14(13)9(7)4-8/h1-5,18H,6H2,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306883
PNG
(1,2,7-trihydroxydibenzo[cd,f]indol-4(5H)-one | CHE...)
Show SMILES Oc1cc2C(=O)Nc3cc4c(O)cccc4c(c1O)c23
Show InChI InChI=1S/C15H9NO4/c17-10-3-1-2-6-7(10)4-9-12-8(15(20)16-9)5-11(18)14(19)13(6)12/h1-5,17-19H,(H,16,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.50E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306878
PNG
(8-Methoxy-6-methyl-6H-benzo[f][1,3]dioxolo[4',5':4...)
Show SMILES COc1cccc2c1cc1N(C)C(=O)c3cc4OCOc4c2c13
Show InChI InChI=1S/C18H13NO4/c1-19-12-6-10-9(4-3-5-13(10)21-2)16-15(12)11(18(19)20)7-14-17(16)23-8-22-14/h3-7H,8H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.50E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306879
PNG
(8-Hydroxy-6-methyl-6H-benzo[f][1,3]dioxolo[4',5':4...)
Show SMILES CN1C(=O)c2cc3OCOc3c3c2c1cc1c(O)cccc31
Show InChI InChI=1S/C17H11NO4/c1-18-11-5-9-8(3-2-4-12(9)19)15-14(11)10(17(18)20)6-13-16(15)22-7-21-13/h2-6,19H,7H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.50E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306880
PNG
(1,2-Dihydroxy-5H-dibenzo[cd,f]indol-4-one | CHEMBL...)
Show SMILES Oc1cc2C(=O)Nc3cc4ccccc4c(c1O)c23
Show InChI InChI=1S/C15H9NO3/c17-11-6-9-12-10(16-15(9)19)5-7-3-1-2-4-8(7)13(12)14(11)18/h1-6,17-18H,(H,16,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.50E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306873
PNG
(10-Hydroxy-8-methoxy-6H-benzo[f][1,3]dioxolo[4',5'...)
Show SMILES COc1cc(O)cc2c1cc1NC(=O)c3cc4OCOc4c2c13
Show InChI InChI=1S/C17H11NO5/c1-21-12-3-7(19)2-9-8(12)4-11-14-10(17(20)18-11)5-13-16(15(9)14)23-6-22-13/h2-5,19H,6H2,1H3,(H,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.50E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306882
PNG
(1,2-dihydroxy-7-methoxydibenzo[cd,f]indol-4(5H)-on...)
Show SMILES COc1cccc2c1cc1NC(=O)c3cc(O)c(O)c2c13
Show InChI InChI=1S/C16H11NO4/c1-21-12-4-2-3-7-8(12)5-10-13-9(16(20)17-10)6-11(18)15(19)14(7)13/h2-6,18-19H,1H3,(H,17,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.50E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306886
PNG
(CHEMBL602275 | Roemerine-HBr)
Show SMILES CN1CCc2cc3OCOc3c3-c4ccccc4C[C@@H]1c23 |r|
Show InChI InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306876
PNG
(8,10-Dihydroxy-6H-benzo[f][1,3]dioxolo[4',5':4,5]b...)
Show SMILES Oc1cc(O)c2cc3NC(=O)c4cc5OCOc5c(c34)c2c1
Show InChI InChI=1S/C16H9NO5/c18-6-1-8-7(11(19)2-6)3-10-13-9(16(20)17-10)4-12-15(14(8)13)22-5-21-12/h1-4,18-19H,5H2,(H,17,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50250271
PNG
((+)-codamine | CHEMBL489524 | Corydine)
Show SMILES COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(O)c(c34)-c2c1OC |r|
Show InChI InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)19(22)18-16(12)13(21)9-11-5-6-14(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50197838
PNG
(CHEMBL227965 | Corytuberine)
Show SMILES COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(O)c(c34)-c2c1O |r|
Show InChI InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50197847
PNG
(CHEMBL387840 | crebanine)
Show SMILES COc1ccc-2c(C[C@@H]3N(C)CCc4cc5OCOc5c-2c34)c1OC
Show InChI InChI=1S/C20H21NO4/c1-21-7-6-11-8-16-20(25-10-24-16)18-12-4-5-15(22-2)19(23-3)13(12)9-14(21)17(11)18/h4-5,8,14H,6-7,9-10H2,1-3H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306885
PNG
(CHEMBL464748 | Dicentrine)
Show SMILES COc1cc2C[C@@H]3N(C)CCc4cc5OCOc5c(-c2cc1OC)c34 |r|
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50306887
PNG
(CHEMBL601020 | Stephanine)
Show SMILES COc1cccc-2c1C[C@H]1N(C)CCc3cc4OCOc4c-2c13 |r|
Show InChI InChI=1S/C19H19NO3/c1-20-7-6-11-8-16-19(23-10-22-16)18-12-4-3-5-15(21-2)13(12)9-14(20)17(11)18/h3-5,8,14H,6-7,9-10H2,1-2H3/t14-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50250273
PNG
((+)-isocorydine | CHEMBL489525 | ISOCORYDINE)
Show SMILES COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c34)-c2c1O |r|
Show InChI InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

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



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50203122
PNG
(5,8,13,13a-tetrahydro-9,10-dimethoxy-6H-benzo(g)-1...)
Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

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



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50241298
PNG
(7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methylmor...)
Show SMILES COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O |r,t:2,TLB:20:19:7.15.6:4|
Show InChI InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

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



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50378615
PNG
(SALUTARIDINE)
Show SMILES COC1=C[C@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c24)C3=CC1=O |r,c:23,t:2|
Show InChI InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1384-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.007
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%