Found 15 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50027603 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-dependent kinase 2
(Homo sapiens (Human)) | BDBM50246406
(2-fluoro-4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-im...)Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)NC3CCN(C)CC3)c(F)c2)ncc1F Show InChI InChI=1S/C24H29F2N7O/c1-14(2)33-15(3)27-13-21(33)22-20(26)12-28-24(31-22)30-17-5-6-18(19(25)11-17)23(34)29-16-7-9-32(4)10-8-16/h5-6,11-14,16H,7-10H2,1-4H3,(H,29,34)(H,28,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6369-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50245913
((4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrim...)Show SMILES CN[C@H]1CCN(C1)C(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 |r| Show InChI InChI=1S/C23H29N7O/c1-15(2)30-16(3)26-13-21(30)20-9-11-25-23(28-20)27-18-7-5-17(6-8-18)22(31)29-12-10-19(14-29)24-4/h5-9,11,13,15,19,24H,10,12,14H2,1-4H3,(H,25,27,28)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6369-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50245910
((4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5...)Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CCCN(C)CC2)ncc1F Show InChI InChI=1S/C24H30FN7O/c1-16(2)32-17(3)26-15-21(32)22-20(25)14-27-24(29-22)28-19-8-6-18(7-9-19)23(33)31-11-5-10-30(4)12-13-31/h6-9,14-16H,5,10-13H2,1-4H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6369-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50245865
(((S)-3-(dimethylamino)pyrrolidin-1-yl)(4-(5-fluoro...)Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CC[C@@H](C2)N(C)C)ncc1F |r| Show InChI InChI=1S/C24H30FN7O/c1-15(2)32-16(3)26-13-21(32)22-20(25)12-27-24(29-22)28-18-8-6-17(7-9-18)23(33)31-11-10-19(14-31)30(4)5/h6-9,12-13,15,19H,10-11,14H2,1-5H3,(H,27,28,29)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6369-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50245864
(CHEMBL462385 | N-(2-(dimethylamino)ethyl)-2-fluoro...)Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)NCCN(C)C)c(F)c2)ncc1F Show InChI InChI=1S/C22H27F2N7O/c1-13(2)31-14(3)26-12-19(31)20-18(24)11-27-22(29-20)28-15-6-7-16(17(23)10-15)21(32)25-8-9-30(4)5/h6-7,10-13H,8-9H2,1-5H3,(H,25,32)(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6369-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50246408
((4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5...)Show SMILES CN[C@H]1CCN(C1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1 |r| Show InChI InChI=1S/C23H28FN7O/c1-14(2)31-15(3)26-12-20(31)21-19(24)11-27-23(29-21)28-17-7-5-16(6-8-17)22(32)30-10-9-18(13-30)25-4/h5-8,11-12,14,18,25H,9-10,13H2,1-4H3,(H,27,28,29)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6369-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50246407
(CHEMBL453629 | N-(2-(dimethylamino)ethyl)-2-fluoro...)Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)NCCN(C)C)c(F)c2)n1 Show InChI InChI=1S/C22H28FN7O/c1-14(2)30-15(3)26-13-20(30)19-8-9-25-22(28-19)27-16-6-7-17(18(23)12-16)21(31)24-10-11-29(4)5/h6-9,12-14H,10-11H2,1-5H3,(H,24,31)(H,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6369-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50245911
((4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrim...)Show SMILES CCCN(C)[C@H]1CCN(C1)C(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 |r| Show InChI InChI=1S/C26H35N7O/c1-6-14-31(5)22-12-15-32(17-22)25(34)20-7-9-21(10-8-20)29-26-27-13-11-23(30-26)24-16-28-19(4)33(24)18(2)3/h7-11,13,16,18,22H,6,12,14-15,17H2,1-5H3,(H,27,29,30)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6369-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50245866
(((R)-3-(dimethylamino)pyrrolidin-1-yl)(4-(5-fluoro...)Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CC[C@H](C2)N(C)C)ncc1F |r| Show InChI InChI=1S/C24H30FN7O/c1-15(2)32-16(3)26-13-21(32)22-20(25)12-27-24(29-22)28-18-8-6-17(7-9-18)23(33)31-11-10-19(14-31)30(4)5/h6-9,12-13,15,19H,10-11,14H2,1-5H3,(H,27,28,29)/t19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6369-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50246253
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...)Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1 Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6369-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50246357
((4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrim...)Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)N2CCN(C)CC2)n1 Show InChI InChI=1S/C23H29N7O/c1-16(2)30-17(3)25-15-21(30)20-9-10-24-23(27-20)26-19-7-5-18(6-8-19)22(31)29-13-11-28(4)12-14-29/h5-10,15-16H,11-14H2,1-4H3,(H,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6369-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50246405
(2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-...)Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)NC3CCN(C)CC3)c(F)c2)n1 Show InChI InChI=1S/C24H30FN7O/c1-15(2)32-16(3)27-14-22(32)21-7-10-26-24(30-21)29-18-5-6-19(20(25)13-18)23(33)28-17-8-11-31(4)12-9-17/h5-7,10,13-15,17H,8-9,11-12H2,1-4H3,(H,28,33)(H,26,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6369-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50246358
((4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5...)Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CCN(C)CC2)ncc1F Show InChI InChI=1S/C23H28FN7O/c1-15(2)31-16(3)25-14-20(31)21-19(24)13-26-23(28-21)27-18-7-5-17(6-8-18)22(32)30-11-9-29(4)10-12-30/h5-8,13-15H,9-12H2,1-4H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6369-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50246404
(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-...)Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)ncc1F Show InChI InChI=1S/C24H30FN7O/c1-15(2)32-16(3)26-14-21(32)22-20(25)13-27-24(30-22)29-18-7-5-17(6-8-18)23(33)28-19-9-11-31(4)12-10-19/h5-8,13-15,19H,9-12H2,1-4H3,(H,28,33)(H,27,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6369-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50246359
(4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimi...)Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)n1 Show InChI InChI=1S/C24H31N7O/c1-16(2)31-17(3)26-15-22(31)21-9-12-25-24(29-21)28-19-7-5-18(6-8-19)23(32)27-20-10-13-30(4)14-11-20/h5-9,12,15-16,20H,10-11,13-14H2,1-4H3,(H,27,32)(H,25,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Bioorg Med Chem Lett 18: 6369-73 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM |
More data for this
Ligand-Target Pair | |
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