BindingDB logo
myBDB logout

12 molecules are shown

Wt: 345.3
BDBM7732
Wt: 329.3
BDBM7762
Wt: 386.4
BDBM7763
Wt: 398.4
BDBM7764
Wt: 357.3
BDBM7765
Wt: 315.3
BDBM7682
Wt: 329.3
BDBM7683
Wt: 363.8
BDBM7685
Wt: 345.3
BDBM7702
Wt: 358.4
BDBM7712
Wt: 359.3
BDBM7716
Wt: 387.4
BDBM91781

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 48 hits for monomerid = 7732,7762,7763,7764,7765,7682,7683,7685,7702,7712,7716,91781   
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))
BDBM7682
PNG
(4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]met...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)11-7-5-10(6-8-11)17-9-13-12-3-1-2-4-14(12)18-15(13)19/h1-9,13H,(H,18,19)(H2,16,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7702
PNG
(4-({[(3Z)-4-(hydroxymethyl)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cccc(CO)c12
Show InChI InChI=1S/C16H15N3O4S/c17-24(22,23)12-6-4-11(5-7-12)18-8-13-15-10(9-20)2-1-3-14(15)19-16(13)21/h1-8,13,20H,9H2,(H,19,21)(H2,17,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7685
PNG
(4-({1-[(3Z)-5-chloro-2-oxo-2,3-dihydro-1H-indol-3-...)
Show SMILES CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C16H14ClN3O3S/c1-9(19-11-3-5-12(6-4-11)24(18,22)23)15-13-8-10(17)2-7-14(13)20-16(15)21/h2-8,15H,1H3,(H,20,21)(H2,18,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 220n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7702
PNG
(4-({[(3Z)-4-(hydroxymethyl)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cccc(CO)c12
Show InChI InChI=1S/C16H15N3O4S/c17-24(22,23)12-6-4-11(5-7-12)18-8-13-15-10(9-20)2-1-3-14(15)19-16(13)21/h1-8,13,20H,9H2,(H,19,21)(H2,17,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7712
PNG
(4-({[(3Z)-5-(dimethylamino)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES CN(C)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C17H18N4O3S/c1-21(2)12-5-8-16-14(9-12)15(17(22)20-16)10-19-11-3-6-13(7-4-11)25(18,23)24/h3-10,15H,1-2H3,(H,20,22)(H2,18,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7716
PNG
((3Z)-2-oxo-3-{[(4-sulfamoylphenyl)amino]methyliden...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C16H13N3O5S/c17-25(23,24)11-4-2-10(3-5-11)18-8-13-12-7-9(16(21)22)1-6-14(12)19-15(13)20/h1-8,13H,(H,19,20)(H,21,22)(H2,17,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7732
PNG
(4-({[(3Z)-6-(hydroxymethyl)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cc(CO)ccc12
Show InChI InChI=1S/C16H15N3O4S/c17-24(22,23)12-4-2-11(3-5-12)18-8-14-13-6-1-10(9-20)7-15(13)19-16(14)21/h1-8,14,20H,9H2,(H,19,21)(H2,17,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 740n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7762
PNG
(N-Methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene...)
Show SMILES CNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H15N3O3S/c1-17-23(21,22)12-8-6-11(7-9-12)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,14,17H,1H3,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7763
PNG
(N-[2-(dimethylamino)ethyl]-4-({[(3Z)-2-oxo-2,3-dih...)
Show SMILES CN(C)CCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C19H22N4O3S/c1-23(2)12-11-21-27(25,26)15-9-7-14(8-10-15)20-13-17-16-5-3-4-6-18(16)22-19(17)24/h3-10,13,17,21H,11-12H2,1-2H3,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7764
PNG
(4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]met...)
Show SMILES O=C1Nc2ccccc2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C18H14N4O3S2/c23-17-15(14-3-1-2-4-16(14)21-17)11-20-12-5-7-13(8-6-12)27(24,25)22-18-19-9-10-26-18/h1-11,15H,(H,19,22)(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7765
PNG
(3-{[4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene...)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,13H,(H,20,22)(H4,17,18,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7682
PNG
(4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]met...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)11-7-5-10(6-8-11)17-9-13-12-3-1-2-4-14(12)18-15(13)19/h1-9,13H,(H,18,19)(H2,16,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 690n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7683
PNG
(4-({1-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]e...)
Show SMILES CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H15N3O3S/c1-10(15-13-4-2-3-5-14(13)19-16(15)20)18-11-6-8-12(9-7-11)23(17,21)22/h2-9,15H,1H3,(H,19,20)(H2,17,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7685
PNG
(4-({1-[(3Z)-5-chloro-2-oxo-2,3-dihydro-1H-indol-3-...)
Show SMILES CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C16H14ClN3O3S/c1-9(19-11-3-5-12(6-4-11)24(18,22)23)15-13-8-10(17)2-7-14(13)20-16(15)21/h2-8,15H,1H3,(H,20,21)(H2,18,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7702
PNG
(4-({[(3Z)-4-(hydroxymethyl)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cccc(CO)c12
Show InChI InChI=1S/C16H15N3O4S/c17-24(22,23)12-6-4-11(5-7-12)18-8-13-15-10(9-20)2-1-3-14(15)19-16(13)21/h1-8,13,20H,9H2,(H,19,21)(H2,17,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7712
PNG
(4-({[(3Z)-5-(dimethylamino)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES CN(C)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C17H18N4O3S/c1-21(2)12-5-8-16-14(9-12)15(17(22)20-16)10-19-11-3-6-13(7-4-11)25(18,23)24/h3-10,15H,1-2H3,(H,20,22)(H2,18,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7716
PNG
((3Z)-2-oxo-3-{[(4-sulfamoylphenyl)amino]methyliden...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C16H13N3O5S/c17-25(23,24)11-4-2-10(3-5-11)18-8-13-12-7-9(16(21)22)1-6-14(12)19-15(13)20/h1-8,13H,(H,19,20)(H,21,22)(H2,17,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7732
PNG
(4-({[(3Z)-6-(hydroxymethyl)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cc(CO)ccc12
Show InChI InChI=1S/C16H15N3O4S/c17-24(22,23)12-4-2-11(3-5-12)18-8-14-13-6-1-10(9-20)7-15(13)19-16(14)21/h1-8,14,20H,9H2,(H,19,21)(H2,17,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 61n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7762
PNG
(N-Methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene...)
Show SMILES CNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H15N3O3S/c1-17-23(21,22)12-8-6-11(7-9-12)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,14,17H,1H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 560n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7763
PNG
(N-[2-(dimethylamino)ethyl]-4-({[(3Z)-2-oxo-2,3-dih...)
Show SMILES CN(C)CCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C19H22N4O3S/c1-23(2)12-11-21-27(25,26)15-9-7-14(8-10-15)20-13-17-16-5-3-4-6-18(16)22-19(17)24/h3-10,13,17,21H,11-12H2,1-2H3,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7764
PNG
(4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]met...)
Show SMILES O=C1Nc2ccccc2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C18H14N4O3S2/c23-17-15(14-3-1-2-4-16(14)21-17)11-20-12-5-7-13(8-6-12)27(24,25)22-18-19-9-10-26-18/h1-11,15H,(H,19,22)(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Patents

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



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7765
PNG
(3-{[4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene...)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,13H,(H,20,22)(H4,17,18,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 660n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7765
PNG
(3-{[4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene...)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,13H,(H,20,22)(H4,17,18,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
n/an/an/a 287n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7765
PNG
(3-{[4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene...)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,13H,(H,20,22)(H4,17,18,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
n/an/an/a 1.77E+3n/an/an/a7.525



CSAR



Assay Description
Thermofluor


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM91781
PNG
(CS248)
Show SMILES C[NH+](C)CCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C19H22N4O3S/c1-23(2)12-11-21-27(25,26)15-9-7-14(8-10-15)20-13-17-16-5-3-4-6-18(16)22-19(17)24/h3-10,13,17,21H,11-12H2,1-2H3,(H,22,24)/p+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 5.69E+3n/an/an/a7.525



CSAR



Assay Description
Thermofluor


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM91781
PNG
(CS248)
Show SMILES C[NH+](C)CCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C19H22N4O3S/c1-23(2)12-11-21-27(25,26)15-9-7-14(8-10-15)20-13-17-16-5-3-4-6-18(16)22-19(17)24/h3-10,13,17,21H,11-12H2,1-2H3,(H,22,24)/p+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 1.06E+3n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7765
PNG
(3-{[4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene...)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,13H,(H,20,22)(H4,17,18,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
n/an/an/a 210n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91781
PNG
(CS248)
Show SMILES C[NH+](C)CCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C19H22N4O3S/c1-23(2)12-11-21-27(25,26)15-9-7-14(8-10-15)20-13-17-16-5-3-4-6-18(16)22-19(17)24/h3-10,13,17,21H,11-12H2,1-2H3,(H,22,24)/p+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 840n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM7716
PNG
((3Z)-2-oxo-3-{[(4-sulfamoylphenyl)amino]methyliden...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C16H13N3O5S/c17-25(23,24)11-4-2-10(3-5-11)18-8-13-12-7-9(16(21)22)1-6-14(12)19-15(13)20/h1-8,13H,(H,19,20)(H,21,22)(H2,17,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK1


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM7702
PNG
(4-({[(3Z)-4-(hydroxymethyl)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cccc(CO)c12
Show InChI InChI=1S/C16H15N3O4S/c17-24(22,23)12-6-4-11(5-7-12)18-8-13-15-10(9-20)2-1-3-14(15)19-16(13)21/h1-8,13,20H,9H2,(H,19,21)(H2,17,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK1


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM7712
PNG
(4-({[(3Z)-5-(dimethylamino)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES CN(C)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C17H18N4O3S/c1-21(2)12-5-8-16-14(9-12)15(17(22)20-16)10-19-11-3-6-13(7-4-11)25(18,23)24/h3-10,15H,1-2H3,(H,20,22)(H2,18,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK1


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM7732
PNG
(4-({[(3Z)-6-(hydroxymethyl)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cc(CO)ccc12
Show InChI InChI=1S/C16H15N3O4S/c17-24(22,23)12-4-2-11(3-5-12)18-8-14-13-6-1-10(9-20)7-15(13)19-16(14)21/h1-8,14,20H,9H2,(H,19,21)(H2,17,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 740n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK1


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM7683
PNG
(4-({1-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]e...)
Show SMILES CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H15N3O3S/c1-10(15-13-4-2-3-5-14(13)19-16(15)20)18-11-6-8-12(9-7-11)23(17,21)22/h2-9,15H,1H3,(H,19,20)(H2,17,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK1


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM7682
PNG
(4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]met...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)11-7-5-10(6-8-11)17-9-13-12-3-1-2-4-14(12)18-15(13)19/h1-9,13H,(H,18,19)(H2,16,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK1


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM7685
PNG
(4-({1-[(3Z)-5-chloro-2-oxo-2,3-dihydro-1H-indol-3-...)
Show SMILES CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C16H14ClN3O3S/c1-9(19-11-3-5-12(6-4-11)24(18,22)23)15-13-8-10(17)2-7-14(13)20-16(15)21/h2-8,15H,1H3,(H,20,21)(H2,18,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK1


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7683
PNG
(4-({1-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]e...)
Show SMILES CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H15N3O3S/c1-10(15-13-4-2-3-5-14(13)19-16(15)20)18-11-6-8-12(9-7-11)23(17,21)22/h2-9,15H,1H3,(H,19,20)(H2,17,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human cyclin dependent kinase 2 (CDK2)


J Med Chem 47: 2534-49 (2004)


Article DOI: 10.1021/jm0304358
BindingDB Entry DOI: 10.7270/Q2KH0P3P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7702
PNG
(4-({[(3Z)-4-(hydroxymethyl)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cccc(CO)c12
Show InChI InChI=1S/C16H15N3O4S/c17-24(22,23)12-6-4-11(5-7-12)18-8-13-15-10(9-20)2-1-3-14(15)19-16(13)21/h1-8,13,20H,9H2,(H,19,21)(H2,17,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human cyclin dependent kinase 2 (CDK2)


J Med Chem 47: 2534-49 (2004)


Article DOI: 10.1021/jm0304358
BindingDB Entry DOI: 10.7270/Q2KH0P3P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7712
PNG
(4-({[(3Z)-5-(dimethylamino)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES CN(C)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C17H18N4O3S/c1-21(2)12-5-8-16-14(9-12)15(17(22)20-16)10-19-11-3-6-13(7-4-11)25(18,23)24/h3-10,15H,1-2H3,(H,20,22)(H2,18,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human cyclin dependent kinase 2 (CDK2)


J Med Chem 47: 2534-49 (2004)


Article DOI: 10.1021/jm0304358
BindingDB Entry DOI: 10.7270/Q2KH0P3P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7682
PNG
(4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]met...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)11-7-5-10(6-8-11)17-9-13-12-3-1-2-4-14(12)18-15(13)19/h1-9,13H,(H,18,19)(H2,16,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 690n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human cyclin dependent kinase 2 (CDK2)


J Med Chem 47: 2534-49 (2004)


Article DOI: 10.1021/jm0304358
BindingDB Entry DOI: 10.7270/Q2KH0P3P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7685
PNG
(4-({1-[(3Z)-5-chloro-2-oxo-2,3-dihydro-1H-indol-3-...)
Show SMILES CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C16H14ClN3O3S/c1-9(19-11-3-5-12(6-4-11)24(18,22)23)15-13-8-10(17)2-7-14(13)20-16(15)21/h2-8,15H,1H3,(H,20,21)(H2,18,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human cyclin dependent kinase 2 (CDK2)


J Med Chem 47: 2534-49 (2004)


Article DOI: 10.1021/jm0304358
BindingDB Entry DOI: 10.7270/Q2KH0P3P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7732
PNG
(4-({[(3Z)-6-(hydroxymethyl)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cc(CO)ccc12
Show InChI InChI=1S/C16H15N3O4S/c17-24(22,23)12-4-2-11(3-5-12)18-8-14-13-6-1-10(9-20)7-15(13)19-16(14)21/h1-8,14,20H,9H2,(H,19,21)(H2,17,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human cyclin dependent kinase 2 (CDK2)


J Med Chem 47: 2534-49 (2004)


Article DOI: 10.1021/jm0304358
BindingDB Entry DOI: 10.7270/Q2KH0P3P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7685
PNG
(4-({1-[(3Z)-5-chloro-2-oxo-2,3-dihydro-1H-indol-3-...)
Show SMILES CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C16H14ClN3O3S/c1-9(19-11-3-5-12(6-4-11)24(18,22)23)15-13-8-10(17)2-7-14(13)20-16(15)21/h2-8,15H,1H3,(H,20,21)(H2,18,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7683
PNG
(4-({1-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]e...)
Show SMILES CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H15N3O3S/c1-10(15-13-4-2-3-5-14(13)19-16(15)20)18-11-6-8-12(9-7-11)23(17,21)22/h2-9,15H,1H3,(H,19,20)(H2,17,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7682
PNG
(4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]met...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)11-7-5-10(6-8-11)17-9-13-12-3-1-2-4-14(12)18-15(13)19/h1-9,13H,(H,18,19)(H2,16,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 690n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7732
PNG
(4-({[(3Z)-6-(hydroxymethyl)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cc(CO)ccc12
Show InChI InChI=1S/C16H15N3O4S/c17-24(22,23)12-4-2-11(3-5-12)18-8-14-13-6-1-10(9-20)7-15(13)19-16(14)21/h1-8,14,20H,9H2,(H,19,21)(H2,17,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 61n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7716
PNG
((3Z)-2-oxo-3-{[(4-sulfamoylphenyl)amino]methyliden...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C16H13N3O5S/c17-25(23,24)11-4-2-10(3-5-11)18-8-13-12-7-9(16(21)22)1-6-14(12)19-15(13)20/h1-8,13H,(H,19,20)(H,21,22)(H2,17,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7712
PNG
(4-({[(3Z)-5-(dimethylamino)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES CN(C)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C17H18N4O3S/c1-21(2)12-5-8-16-14(9-12)15(17(22)20-16)10-19-11-3-6-13(7-4-11)25(18,23)24/h3-10,15H,1-2H3,(H,20,22)(H2,18,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of CDK2


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7683
PNG
(4-({1-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]e...)
Show SMILES CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H15N3O3S/c1-10(15-13-4-2-3-5-14(13)19-16(15)20)18-11-6-8-12(9-7-11)23(17,21)22/h2-9,15H,1H3,(H,19,20)(H2,17,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair