BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 113 hits of Enz. Inhib. data with enzyme = 'Cyclin-Dependent Kinase 2 (CDK2)' and Substrate = 'to-be-curated'   
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 2 (CDK2)


(Homo sapiens (human))
BDBM8556
PNG
(3-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfany...)
Show SMILES OC(=O)c1cccc(CSc2nnc(o2)-c2ccncc2)c1
Show InChI InChI=1S/C15H11N3O3S/c19-14(20)12-3-1-2-10(8-12)9-22-15-18-17-13(21-15)11-4-6-16-7-5-11/h1-8H,9H2,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91822
PNG
(CS96)
Show SMILES COc1cc(OC)c(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1Cl
Show InChI InChI=1S/C18H18ClN5O3S/c1-24-17(11-4-6-20-7-5-11)22-23-18(24)28-10-16(25)21-13-8-12(19)14(26-2)9-15(13)27-3/h4-9H,10H2,1-3H3,(H,21,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91749
PNG
(CS16)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/a 73n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
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))
BDBM91808
PNG
(CS71)
Show SMILES CC(=O)Nc1cccc(c1)-c1nnc(SCC(=O)Nc2ccc(cc2)C(C)=O)n1C
Show InChI InChI=1S/C21H21N5O3S/c1-13(27)15-7-9-17(10-8-15)23-19(29)12-30-21-25-24-20(26(21)3)16-5-4-6-18(11-16)22-14(2)28/h4-11H,12H2,1-3H3,(H,22,28)(H,23,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91813
PNG
(CS77)
Show SMILES COC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2OC)cc1
Show InChI InChI=1S/C18H17N5O4S/c1-26-15-6-4-3-5-14(15)23-18(20-21-22-23)28-11-16(24)19-13-9-7-12(8-10-13)17(25)27-2/h3-10H,11H2,1-2H3,(H,19,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91738
PNG
(CS112)
Show SMILES COc1ccc(cc1)C(=O)C(C)Oc1cccc(NC(=O)c2cccc(c2)[N+](O)=O)c1
Show InChI InChI=1S/C23H20N2O6/c1-15(22(26)16-9-11-20(30-2)12-10-16)31-21-8-4-6-18(14-21)24-23(27)17-5-3-7-19(13-17)25(28)29/h3-15H,1-2H3,(H-,24,27,28,29)/p+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM8068
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 39 | 2...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1Cl
Show InChI InChI=1S/C17H18ClN5S/c1-10-16(24-11(2)20-10)14-7-8-19-17(22-14)21-12-5-6-15(23(3)4)13(18)9-12/h5-9H,1-4H3,(H,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/an/a 45n/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))
BDBM91787
PNG
(CS33)
Show SMILES Brc1ccc(cc1)S(=O)(=O)NCCSc1ccccn1
Show InChI InChI=1S/C13H13BrN2O2S2/c14-11-4-6-12(7-5-11)20(17,18)16-9-10-19-13-3-1-2-8-15-13/h1-8,16H,9-10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91741
PNG
(CS119)
Show SMILES CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccco1
Show InChI InChI=1S/C17H18N4O3S/c1-3-21-16(14-9-6-10-24-14)19-20-17(21)25-11-15(22)18-12-7-4-5-8-13(12)23-2/h4-10H,3,11H2,1-2H3,(H,18,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91775
PNG
(CS234)
Show SMILES Fc1ccc(NC(=O)CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C15H11FN4O2S/c16-11-1-3-12(4-2-11)18-13(21)9-23-15-20-19-14(22-15)10-5-7-17-8-6-10/h1-8H,9H2,(H,18,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91785
PNG
(CS31)
Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)s1
Show InChI InChI=1S/C17H15FN4O3S2/c1-2-15-20-21-17(26-15)22-27(24,25)14-9-7-13(8-10-14)19-16(23)11-3-5-12(18)6-4-11/h3-10H,2H2,1H3,(H,19,23)(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91816
PNG
(CS81)
Show SMILES COc1cccc(c1)-n1nnnc1SCC(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C19H21N5O2S/c1-12-8-13(2)18(14(3)9-12)20-17(25)11-27-19-21-22-23-24(19)15-6-5-7-16(10-15)26-4/h5-10H,11H2,1-4H3,(H,20,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91782
PNG
(CS260)
Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/a 8n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91782
PNG
(CS260)
Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/a 334n/an/an/a7.525



CSAR



Assay Description
ITC


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91766
PNG
(CS202)
Show SMILES COc1cc(NC(=O)CSc2nncn2C)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O4S/c1-18-8-15-17-14(18)23-7-12(19)16-9-5-10(20-2)13(22-4)11(6-9)21-3/h5-6,8H,7H2,1-4H3,(H,16,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91745
PNG
(CS148)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc(CCCN2C(=O)c3ccccc3C2=O)[o+][n-]1
Show InChI InChI=1S/C19H14N4O5/c24-18-14-7-1-2-8-15(14)19(25)22(18)10-4-9-16-20-17(21-28-16)12-5-3-6-13(11-12)23(26)27/h1-3,5-8,11H,4,9-10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91772
PNG
(CS230)
Show SMILES CSc1ccc(cc1)S(=O)(=O)NCc1ccccn1
Show InChI InChI=1S/C13H14N2O2S2/c1-18-12-5-7-13(8-6-12)19(16,17)15-10-11-4-2-3-9-14-11/h2-9,15H,10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91760
PNG
(CS189)
Show SMILES COc1ccc(NC(=O)CN2CCOCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H17N3O5/c1-20-10-2-3-11(12(8-10)16(18)19)14-13(17)9-15-4-6-21-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,14,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91788
PNG
(CS34)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H21ClN2O5S/c1-13-8-10-23(11-9-13)29(27,28)16-6-7-18(21)17(12-16)19(24)22-15-4-2-14(3-5-15)20(25)26/h2-7,12-13H,8-11H2,1H3,(H,22,24)(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91755
PNG
(CS173)
Show SMILES CN(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H23N3O3S/c1-19-9-11-21(12-10-19)18(22)14-20(2)25(23,24)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13H,9-12,14H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91756
PNG
(CS175)
Show SMILES COc1cc(cc(OC)c1OC)-c1nnc(SCC(N)=O)n1C
Show InChI InChI=1S/C14H18N4O4S/c1-18-13(16-17-14(18)23-7-11(15)19)8-5-9(20-2)12(22-4)10(6-8)21-3/h5-6H,7H2,1-4H3,(H2,15,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7126
PNG
(3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...)
Show SMILES CCCC(=O)Nc1cc([nH]n1)C1CC1
Show InChI InChI=1S/C10H15N3O/c1-2-3-10(14)11-9-6-8(12-13-9)7-4-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/a 360n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7126
PNG
(3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...)
Show SMILES CCCC(=O)Nc1cc([nH]n1)C1CC1
Show InChI InChI=1S/C10H15N3O/c1-2-3-10(14)11-9-6-8(12-13-9)7-4-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/a 537n/an/an/a7.525



CSAR



Assay Description
ITC


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91779
PNG
(CS244)
Show SMILES COc1cccc(OC)c1NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12
Show InChI InChI=1S/C24H20N4O5S2/c1-32-19-4-3-5-20(33-2)22(19)28-35(30,31)15-8-6-14(7-9-15)25-12-16-21-17(27-24(16)29)10-11-18-23(21)34-13-26-18/h3-13,16,28H,1-2H3,(H,27,29)
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 333n/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))
BDBM91796
PNG
(CS49)
Show SMILES CCOc1ccc2nc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)sc2c1
Show InChI InChI=1S/C22H22N4O3S2/c1-4-29-16-10-11-17-18(12-16)31-22(23-17)30-13-19(27)24-20-14(2)25(3)26(21(20)28)15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3,(H,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM8037
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 8 | 4-...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(N)n1
Show InChI InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
PubMed
n/an/an/a 3.03E+4n/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))
BDBM91800
PNG
(CS59)
Show SMILES COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)n2C)cc1
Show InChI InChI=1S/C21H21N5O4S/c1-13(27)22-16-8-4-14(5-9-16)19-24-25-21(26(19)2)31-12-18(28)23-17-10-6-15(7-11-17)20(29)30-3/h4-11H,12H2,1-3H3,(H,22,27)(H,23,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91820
PNG
(CS93)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C17H12Cl2N4O3S/c18-13-3-1-4-14(19)15(13)16(24)22-11-5-7-12(8-6-11)27(25,26)23-17-20-9-2-10-21-17/h1-10H,(H,22,24)(H,20,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91789
PNG
(CS36)
Show SMILES COc1ccc(OCC(=O)Nc2cc(ccc2C)-c2nn3c(C)nnc3s2)cc1
Show InChI InChI=1S/C20H19N5O3S/c1-12-4-5-14(19-24-25-13(2)22-23-20(25)29-19)10-17(12)21-18(26)11-28-16-8-6-15(27-3)7-9-16/h4-10H,11H2,1-3H3,(H,21,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91811
PNG
(CS74)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1
Show InChI InChI=1S/C23H19FN4O3S2/c1-33(30,31)18-13-11-16(12-14-18)25-21(29)15-32-23-27-26-22(19-9-5-6-10-20(19)24)28(23)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,25,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91812
PNG
(CS76)
Show SMILES CN1CCN(CC1)C(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O
Show InChI InChI=1S/C20H25N3O3S/c1-21-12-14-22(15-13-21)20(24)18-10-6-7-11-19(18)23(27(2,25)26)16-17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91746
PNG
(CS150)
Show SMILES Cc1c(NS(=O)(=O)c2cccc3nonc23)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C17H15N5O4S/c1-11-15(17(23)22(21(11)2)12-7-4-3-5-8-12)20-27(24,25)14-10-6-9-13-16(14)19-26-18-13/h3-10,20H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91798
PNG
(CS55)
Show SMILES CCOc1ccc(cc1Cc1c(O)nc(N)[nH]c1=O)C(C)=O
Show InChI InChI=1S/C15H17N3O4/c1-3-22-12-5-4-9(8(2)19)6-10(12)7-11-13(20)17-15(16)18-14(11)21/h4-6H,3,7H2,1-2H3,(H4,16,17,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91742
PNG
(CS130)
Show SMILES CN(CC(=O)Nc1ccccc1C(=O)N1CCCC1)CS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H24BrN3O4S/c1-24(15-30(28,29)17-10-8-16(22)9-11-17)14-20(26)23-19-7-3-2-6-18(19)21(27)25-12-4-5-13-25/h2-3,6-11H,4-5,12-15H2,1H3,(H,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91778
PNG
(CS238)
Show SMILES Cc1ccc(NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c(C)c1
Show InChI InChI=1S/C26H26ClN3O5S/c1-17-7-10-22(18(2)15-17)29-36(33,34)24-16-19(8-9-21(24)27)25(31)28-23-6-4-3-5-20(23)26(32)30-11-13-35-14-12-30/h3-10,15-16,29H,11-14H2,1-2H3,(H,28,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91743
PNG
(CS140)
Show SMILES CC(Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H16N4O3S2/c1-10(24-16-19-13-4-2-3-5-14(13)20-16)15(21)18-11-6-8-12(9-7-11)25(17,22)23/h2-10H,1H3,(H,18,21)(H,19,20)(H2,17,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91776
PNG
(CS236)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)Nc3ccc(Cl)c(Cl)c3)c2c1
Show InChI InChI=1S/C18H17Cl2N3O2/c1-25-13-3-5-17-14(9-13)11(10-22-17)6-7-21-18(24)23-12-2-4-15(19)16(20)8-12/h2-5,8-10,22H,6-7H2,1H3,(H2,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91747
PNG
(CS152)
Show SMILES CN(CC(=O)N1CCC(CC1)C(N)=O)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C18H27N3O4S/c1-12-9-13(2)17(14(3)10-12)26(24,25)20(4)11-16(22)21-7-5-15(6-8-21)18(19)23/h9-10,15H,5-8,11H2,1-4H3,(H2,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91804
PNG
(CS67)
Show SMILES COc1ccc(cc1)C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1
Show InChI InChI=1S/C25H23N3O4S/c1-30-20-12-9-17(10-13-20)21(29)16-33-25-27-26-24(28(25)19-7-5-4-6-8-19)18-11-14-22(31-2)23(15-18)32-3/h4-15H,16H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91780
PNG
(CS246)
Show SMILES CC(=O)N=S([O-])(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12
Show InChI InChI=1S/C18H14N4O4S2/c1-10(23)22-28(25,26)12-4-2-11(3-5-12)19-8-13-16-14(21-18(13)24)6-7-15-17(16)27-9-20-15/h2-9,13H,1H3,(H,21,24)(H,22,23,25,26)/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 207n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91734
PNG
(CS105)
Show SMILES Cc1cc(C)c(cc1C)S(=O)(=O)NCc1ccccn1
Show InChI InChI=1S/C15H18N2O2S/c1-11-8-13(3)15(9-12(11)2)20(18,19)17-10-14-6-4-5-7-16-14/h4-9,17H,10H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91819
PNG
(CS92)
Show SMILES COC(=O)c1ccccc1Oc1nc(NC(C)C)nc(NC(C)C)n1
Show InChI InChI=1S/C17H23N5O3/c1-10(2)18-15-20-16(19-11(3)4)22-17(21-15)25-13-9-7-6-8-12(13)14(23)24-5/h6-11H,1-5H3,(H2,18,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91799
PNG
(CS58)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnc(SCC(=O)N2CCOCC2)n1-c1ccccc1
Show InChI InChI=1S/C20H19N5O4S/c26-18(23-10-12-29-13-11-23)14-30-20-22-21-19(24(20)16-4-2-1-3-5-16)15-6-8-17(9-7-15)25(27)28/h1-9H,10-14H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91823
PNG
(CS98)
Show SMILES COc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C
Show InChI InChI=1S/C18H17FN4O2S/c1-23-17(12-7-9-13(19)10-8-12)21-22-18(23)26-11-16(24)20-14-5-3-4-6-15(14)25-2/h3-10H,11H2,1-2H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91765
PNG
(CS200)
Show SMILES [O-][N+](=O)c1ncn(CC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)n1
Show InChI InChI=1S/C14H15ClN6O4/c15-11-7-10(1-2-12(11)19-3-5-25-6-4-19)17-13(22)8-20-9-16-14(18-20)21(23)24/h1-2,7,9H,3-6,8H2,(H,17,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91750
PNG
(CS160)
Show SMILES CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClN3O5S/c1-30(27,28)24(16-8-6-15(21)7-9-16)14-19(25)22-18-5-3-2-4-17(18)20(26)23-10-12-29-13-11-23/h2-9H,10-14H2,1H3,(H,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91818
PNG
(CS85)
Show SMILES COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccnc1
Show InChI InChI=1S/C18H15N3O4/c1-24-15-7-6-13(20-18(23)16-5-3-9-25-16)10-14(15)21-17(22)12-4-2-8-19-11-12/h2-11H,1H3,(H,20,23)(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91790
PNG
(CS37)
Show SMILES COc1ccc(NC(=O)CCSc2nnc3scc(-c4ccc(C)cc4)n23)cc1
Show InChI InChI=1S/C21H20N4O2S2/c1-14-3-5-15(6-4-14)18-13-29-21-24-23-20(25(18)21)28-12-11-19(26)22-16-7-9-17(27-2)10-8-16/h3-10,13H,11-12H2,1-2H3,(H,22,26)
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>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM91777
PNG
(CS237)
Show SMILES Cc1[nH]c2ncnn2c(=O)c1NS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C12H10BrN5O3S/c1-7-10(11(19)18-12(16-7)14-6-15-18)17-22(20,21)9-4-2-8(13)3-5-9/h2-6,17H,1H3,(H,14,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/an/a>1.00E+5n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 113 total )  |  Next  |  Last  >>
Jump to: