Found 19 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50113342
(CHEMBL518383)Show SMILES Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)cc1 Show InChI InChI=1S/C17H11F3N4O2/c18-9-4-6-10(7-5-9)22-17(26)15-13(8-21-24-15)23-16(25)14-11(19)2-1-3-12(14)20/h1-8H,(H,21,24)(H,22,26)(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50368878
(CHEMBL456963)Show InChI InChI=1S/C17H18F2N4O2/c18-11-7-4-8-12(19)14(11)16(24)22-13-9-20-23-15(13)17(25)21-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,20,23)(H,21,25)(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50368899
(CHEMBL457177)Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(F)cccc1F |r,wU:1.0,wD:4.7,(32.02,-49.35,;31.25,-48.02,;29.71,-48.03,;28.93,-46.7,;29.69,-45.37,;31.23,-45.35,;32.01,-46.68,;28.91,-44.04,;27.37,-44.06,;26.59,-42.73,;26.61,-45.4,;27.53,-46.65,;26.63,-47.91,;25.15,-47.44,;25.14,-45.89,;23.89,-44.99,;22.35,-44.98,;21.58,-43.65,;21.57,-46.31,;22.34,-47.64,;23.88,-47.64,;21.57,-48.97,;20.02,-48.97,;19.26,-47.63,;20.03,-46.3,;19.27,-44.96,)| Show InChI InChI=1S/C17H18F2N4O3/c18-11-2-1-3-12(19)14(11)16(25)22-13-8-20-23-15(13)17(26)21-9-4-6-10(24)7-5-9/h1-3,8-10,24H,4-7H2,(H,20,23)(H,21,26)(H,22,25)/t9-,10- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50368881
(CHEMBL510578)Show InChI InChI=1S/C15H14F2N4O2/c16-9-2-1-3-10(17)12(9)14(22)20-11-7-19-21-13(11)15(23)18-6-8-4-5-8/h1-3,7-8H,4-6H2,(H,18,23)(H,19,21)(H,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50368879
(CHEMBL497306)Show SMILES COc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1 Show InChI InChI=1S/C17H20FN5O3/c1-26-13-4-2-3-11(18)14(13)16(24)22-12-9-20-23-15(12)17(25)21-10-5-7-19-8-6-10/h2-4,9-10,19H,5-8H2,1H3,(H,20,23)(H,21,25)(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50368876
(CHEMBL507167)Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(F)cccc1F |r,wU:1.0,wD:4.7,(46.13,-48.47,;45.35,-47.14,;43.81,-47.15,;43.04,-45.82,;43.8,-44.49,;45.33,-44.47,;46.11,-45.8,;43.02,-43.17,;41.48,-43.18,;40.69,-41.85,;40.72,-44.52,;41.64,-45.77,;40.73,-47.03,;39.26,-46.56,;39.25,-45.01,;38,-44.11,;36.45,-44.1,;35.69,-42.77,;35.68,-45.44,;36.44,-46.76,;37.98,-46.76,;35.68,-48.09,;34.13,-48.09,;33.36,-46.75,;34.14,-45.42,;33.38,-44.08,)| Show InChI InChI=1S/C17H19F2N5O2/c18-11-2-1-3-12(19)14(11)16(25)23-13-8-21-24-15(13)17(26)22-10-6-4-9(20)5-7-10/h1-3,8-10H,4-7,20H2,(H,21,24)(H,22,26)(H,23,25)/t9-,10- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50368900
(CHEMBL1187319)Show SMILES Fc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)N[C@H]1CCCNC1 |r| Show InChI InChI=1S/C16H17F2N5O2/c17-10-4-1-5-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-3-2-6-19-7-9/h1,4-5,8-9,19H,2-3,6-7H2,(H,20,23)(H,21,25)(H,22,24)/t9-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50113281
(AT-7519)Show SMILES Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1 Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50368874
(CHEMBL463579)Show InChI InChI=1S/C17H19FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,19,22)(H,20,24)(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50368902
(CHEMBL497477)Show SMILES Fc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1 Show InChI InChI=1S/C16H17ClFN5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50113349
(CHEMBL457388)Show InChI InChI=1S/C16H17F2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50368897
(CHEMBL463580)Show InChI InChI=1S/C17H13FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h1-10H,(H,19,22)(H,20,24)(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50368905
(CHEMBL448316)Show SMILES Fc1cc(F)c(C(=O)Nc2c[nH]nc2C(=O)NC2CCNCC2)c(F)c1 Show InChI InChI=1S/C16H16F3N5O2/c17-8-5-10(18)13(11(19)6-8)15(25)23-12-7-21-24-14(12)16(26)22-9-1-3-20-4-2-9/h5-7,9,20H,1-4H2,(H,21,24)(H,22,26)(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50368877
(CHEMBL457208)Show InChI InChI=1S/C18H15FN4O2/c19-13-6-8-14(9-7-13)21-18(25)17-15(11-20-23-17)22-16(24)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,23)(H,21,25)(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50368923
(CHEMBL4172348)Show SMILES CCn1cc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c(n1)C(=O)NCC(C)C Show InChI InChI=1S/C20H25F3N4O3/c1-4-27-10-16(17(26-27)19(29)24-9-13(2)3)25-18(28)15-7-5-14(6-8-15)11-30-12-20(21,22)23/h5-8,10,13H,4,9,11-12H2,1-3H3,(H,24,29)(H,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50368904
(CHEMBL4175760)Show SMILES CCn1cc(NC(=O)c2ccc(Cl)cc2Cl)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H16Cl2N4O2/c1-2-25-11-16(23-18(26)14-9-8-12(20)10-15(14)21)17(24-25)19(27)22-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,22,27)(H,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50368880
(CHEMBL4161715)Show SMILES CCn1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c(n1)C(=O)NC1CCCC1 Show InChI InChI=1S/C22H25ClN6O2/c1-2-28-14-19(20(27-28)22(31)25-18-5-3-4-6-18)26-21(30)16-9-7-15(8-10-16)12-29-13-17(23)11-24-29/h7-11,13-14,18H,2-6,12H2,1H3,(H,25,31)(H,26,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50368875
(CHEMBL4165150)Show SMILES Cn1cc(NC(=O)c2c(Cl)cccc2Cl)c(n1)C(=O)NC1CCN(CC1)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C24H21Cl4N5O3/c1-32-12-18(30-22(34)19-14(25)4-2-5-15(19)26)21(31-32)23(35)29-13-8-10-33(11-9-13)24(36)20-16(27)6-3-7-17(20)28/h2-7,12-13H,8-11H2,1H3,(H,29,35)(H,30,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50368903
(CHEMBL4160645)Show SMILES Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(CC1)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H19Cl4N5O3/c24-13-3-1-4-14(25)18(13)21(33)30-17-11-28-31-20(17)22(34)29-12-7-9-32(10-8-12)23(35)19-15(26)5-2-6-16(19)27/h1-6,11-12H,7-10H2,(H,28,31)(H,29,34)(H,30,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc... |
J Med Chem 61: 7700-7709 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00669
BindingDB Entry DOI: 10.7270/Q2GX4F3H |
More data for this
Ligand-Target Pair | |
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