Found 31 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 |
|---|
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50382803
(CHEMBL2023413)Show SMILES COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)NC3CCNC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C23H24N8O2/c1-33-18-7-5-14(6-8-18)19-20-21(26-13-25-20)31-22(30-19)27-15-3-2-4-16(11-15)28-23(32)29-17-9-10-24-12-17/h2-8,11,13,17,24H,9-10,12H2,1H3,(H2,28,29,32)(H2,25,26,27,30,31) | 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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50382801
(CHEMBL2023415)Show SMILES COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)NCCN3CCOCC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C25H28N8O3/c1-35-20-7-5-17(6-8-20)21-22-23(28-16-27-22)32-24(31-21)29-18-3-2-4-19(15-18)30-25(34)26-9-10-33-11-13-36-14-12-33/h2-8,15-16H,9-14H2,1H3,(H2,26,30,34)(H2,27,28,29,31,32) | 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 | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50382800
(CHEMBL2023418)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)C3CCNCC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C25H27N7O3/c1-34-19-7-6-16(12-20(19)35-2)21-22-23(28-14-27-22)32-25(31-21)30-18-5-3-4-17(13-18)29-24(33)15-8-10-26-11-9-15/h3-7,12-15,26H,8-11H2,1-2H3,(H,29,33)(H2,27,28,30,31,32) | 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 | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50382802
(CHEMBL2023414)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)NCCN3CCOCC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C26H30N8O4/c1-36-20-7-6-17(14-21(20)37-2)22-23-24(29-16-28-23)33-25(32-22)30-18-4-3-5-19(15-18)31-26(35)27-8-9-34-10-12-38-13-11-34/h3-7,14-16H,8-13H2,1-2H3,(H2,27,31,35)(H2,28,29,30,32,33) | 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 | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50382799
(CHEMBL2023201)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)NC3CCNC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C24H26N8O3/c1-34-18-7-6-14(10-19(18)35-2)20-21-22(27-13-26-21)32-23(31-20)28-15-4-3-5-16(11-15)29-24(33)30-17-8-9-25-12-17/h3-7,10-11,13,17,25H,8-9,12H2,1-2H3,(H2,29,30,33)(H2,26,27,28,31,32) | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50382808
(CHEMBL1933347)Show SMILES COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C23H23N7O2/c1-32-18-9-7-15(8-10-18)19-20-21(25-14-24-20)29-22(28-19)26-16-5-4-6-17(13-16)27-23(31)30-11-2-3-12-30/h4-10,13-14H,2-3,11-12H2,1H3,(H,27,31)(H2,24,25,26,28,29) | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50382807
(CHEMBL2023196)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C24H25N7O3/c1-33-18-9-8-15(12-19(18)34-2)20-21-22(26-14-25-21)30-23(29-20)27-16-6-5-7-17(13-16)28-24(32)31-10-3-4-11-31/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,28,32)(H2,25,26,27,29,30) | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50382813
(CHEMBL2023416)Show SMILES COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)N3CCCCC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C24H25N7O2/c1-33-19-10-8-16(9-11-19)20-21-22(26-15-25-21)30-23(29-20)27-17-6-5-7-18(14-17)28-24(32)31-12-3-2-4-13-31/h5-11,14-15H,2-4,12-13H2,1H3,(H,28,32)(H2,25,26,27,29,30) | 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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50382809
(CHEMBL2023195)Show SMILES CN1CCN(Cc2cccc(c2)-c2nc(Nc3cccc(Cl)c3)nc3nc[nH]c23)CC1 Show InChI InChI=1S/C23H24ClN7/c1-30-8-10-31(11-9-30)14-16-4-2-5-17(12-16)20-21-22(26-15-25-21)29-23(28-20)27-19-7-3-6-18(24)13-19/h2-7,12-13,15H,8-11,14H2,1H3,(H2,25,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50382806
(CHEMBL2023197)Show SMILES O=C(Nc1cccc(Nc2nc(-c3ccc4OCOc4c3)c3[nH]cnc3n2)c1)N1CCCC1 Show InChI InChI=1S/C23H21N7O3/c31-23(30-8-1-2-9-30)27-16-5-3-4-15(11-16)26-22-28-19(20-21(29-22)25-12-24-20)14-6-7-17-18(10-14)33-13-32-17/h3-7,10-12H,1-2,8-9,13H2,(H,27,31)(H2,24,25,26,28,29) | 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 | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50360581
(CHEMBL1933344)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)nc1nc[nH]c21 |t:3| Show InChI InChI=1S/C24H24N6O/c1-30-11-3-2-4-12-31-20-10-6-8-18(14-20)21-22-23(26-16-25-22)29-24(28-21)27-19-9-5-7-17(13-19)15-30/h2-3,5-10,13-14,16H,4,11-12,15H2,1H3,(H2,25,26,27,28,29)/b3-2+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50382805
(CHEMBL2023199)Show SMILES Fc1ccc(cn1)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C21H19FN8O/c22-16-7-6-13(11-23-16)17-18-19(25-12-24-18)29-20(28-17)26-14-4-3-5-15(10-14)27-21(31)30-8-1-2-9-30/h3-7,10-12H,1-2,8-9H2,(H,27,31)(H2,24,25,26,28,29) | 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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50382804
(CHEMBL2023200)Show SMILES COc1cc(ccc1N)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C23H24N8O2/c1-33-18-11-14(7-8-17(18)24)19-20-21(26-13-25-20)30-22(29-19)27-15-5-4-6-16(12-15)28-23(32)31-9-2-3-10-31/h4-8,11-13H,2-3,9-10,24H2,1H3,(H,28,32)(H2,25,26,27,29,30) | 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 | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50382810
(CHEMBL2023194)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(Cl)c2)nc2nc[nH]c12 Show InChI InChI=1S/C19H16ClN5O2/c1-26-14-7-6-11(8-15(14)27-2)16-17-18(22-10-21-17)25-19(24-16)23-13-5-3-4-12(20)9-13/h3-10H,1-2H3,(H2,21,22,23,24,25) | 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 | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50382814
(CHEMBL2023198)Show SMILES O=C(Nc1cccc(Nc2nc(-c3ccncc3)c3[nH]cnc3n2)c1)N1CCCC1 Show InChI InChI=1S/C21H20N8O/c30-21(29-10-1-2-11-29)26-16-5-3-4-15(12-16)25-20-27-17(14-6-8-22-9-7-14)18-19(28-20)24-13-23-18/h3-9,12-13H,1-2,10-11H2,(H,26,30)(H2,23,24,25,27,28) | 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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50360582
(CHEMBL1933345)Show SMILES Oc1ccc(cc1)-c1nc(Nc2cccc(Cl)c2)nc2nc[nH]c12 Show InChI InChI=1S/C17H12ClN5O/c18-11-2-1-3-12(8-11)21-17-22-14(10-4-6-13(24)7-5-10)15-16(23-17)20-9-19-15/h1-9,24H,(H2,19,20,21,22,23) | 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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50382811
(CHEMBL2023419)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(c2)C(=O)NC2CCNC2)nc2nc[nH]c12 Show InChI InChI=1S/C24H25N7O3/c1-33-18-7-6-14(11-19(18)34-2)20-21-22(27-13-26-21)31-24(30-20)29-16-5-3-4-15(10-16)23(32)28-17-8-9-25-12-17/h3-7,10-11,13,17,25H,8-9,12H2,1-2H3,(H,28,32)(H2,26,27,29,30,31) | 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 | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50382812
(CHEMBL2023417)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(c2)C(=O)NC2CCNCC2)nc2nc[nH]c12 Show InChI InChI=1S/C25H27N7O3/c1-34-19-7-6-15(13-20(19)35-2)21-22-23(28-14-27-22)32-25(31-21)30-18-5-3-4-16(12-18)24(33)29-17-8-10-26-11-9-17/h3-7,12-14,17,26H,8-11H2,1-2H3,(H,29,33)(H2,27,28,30,31,32) | 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 | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50382809
(CHEMBL2023195)Show SMILES CN1CCN(Cc2cccc(c2)-c2nc(Nc3cccc(Cl)c3)nc3nc[nH]c23)CC1 Show InChI InChI=1S/C23H24ClN7/c1-30-8-10-31(11-9-30)14-16-4-2-5-17(12-16)20-21-22(26-15-25-21)29-23(28-20)27-19-7-3-6-18(24)13-19/h2-7,12-13,15H,8-11,14H2,1H3,(H2,25,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 using RbING as substrate after 2 hrs by luminescence assay |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50382801
(CHEMBL2023415)Show SMILES COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)NCCN3CCOCC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C25H28N8O3/c1-35-20-7-5-17(6-8-20)21-22-23(28-16-27-22)32-24(31-21)29-18-3-2-4-19(15-18)30-25(34)26-9-10-33-11-13-36-14-12-33/h2-8,15-16H,9-14H2,1H3,(H2,26,30,34)(H2,27,28,29,31,32) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 using RbING as substrate after 2 hrs by luminescence assay |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50382810
(CHEMBL2023194)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(Cl)c2)nc2nc[nH]c12 Show InChI InChI=1S/C19H16ClN5O2/c1-26-14-7-6-11(8-15(14)27-2)16-17-18(22-10-21-17)25-19(24-16)23-13-5-3-4-12(20)9-13/h3-10H,1-2H3,(H2,21,22,23,24,25) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 using RbING as substrate after 2 hrs by luminescence assay |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50382799
(CHEMBL2023201)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)NC3CCNC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C24H26N8O3/c1-34-18-7-6-14(10-19(18)35-2)20-21-22(27-13-26-21)32-23(31-20)28-15-4-3-5-16(11-15)29-24(33)30-17-8-9-25-12-17/h3-7,10-11,13,17,25H,8-9,12H2,1-2H3,(H2,29,30,33)(H2,26,27,28,31,32) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 using RbING as substrate after 2 hrs by luminescence assay |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50382807
(CHEMBL2023196)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C24H25N7O3/c1-33-18-9-8-15(12-19(18)34-2)20-21-22(26-14-25-21)30-23(29-20)27-16-6-5-7-17(13-16)28-24(32)31-10-3-4-11-31/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,28,32)(H2,25,26,27,29,30) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 using RbING as substrate after 2 hrs by luminescence assay |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50382805
(CHEMBL2023199)Show SMILES Fc1ccc(cn1)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C21H19FN8O/c22-16-7-6-13(11-23-16)17-18-19(25-12-24-18)29-20(28-17)26-14-4-3-5-15(10-14)27-21(31)30-8-1-2-9-30/h3-7,10-12H,1-2,8-9H2,(H,27,31)(H2,24,25,26,28,29) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 using RbING as substrate after 2 hrs by luminescence assay |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50382808
(CHEMBL1933347)Show SMILES COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C23H23N7O2/c1-32-18-9-7-15(8-10-18)19-20-21(25-14-24-20)29-22(28-19)26-16-5-4-6-17(13-16)27-23(31)30-11-2-3-12-30/h4-10,13-14H,2-3,11-12H2,1H3,(H,27,31)(H2,24,25,26,28,29) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 using RbING as substrate after 2 hrs by luminescence assay |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50382806
(CHEMBL2023197)Show SMILES O=C(Nc1cccc(Nc2nc(-c3ccc4OCOc4c3)c3[nH]cnc3n2)c1)N1CCCC1 Show InChI InChI=1S/C23H21N7O3/c31-23(30-8-1-2-9-30)27-16-5-3-4-15(11-16)26-22-28-19(20-21(29-22)25-12-24-20)14-6-7-17-18(10-14)33-13-32-17/h3-7,10-12H,1-2,8-9,13H2,(H,27,31)(H2,24,25,26,28,29) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 using RbING as substrate after 2 hrs by luminescence assay |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50382803
(CHEMBL2023413)Show SMILES COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)NC3CCNC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C23H24N8O2/c1-33-18-7-5-14(6-8-18)19-20-21(26-13-25-20)31-22(30-19)27-15-3-2-4-16(11-15)28-23(32)29-17-9-10-24-12-17/h2-8,11,13,17,24H,9-10,12H2,1H3,(H2,28,29,32)(H2,25,26,27,30,31) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 using RbING as substrate after 2 hrs by luminescence assay |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50382802
(CHEMBL2023414)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)NCCN3CCOCC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C26H30N8O4/c1-36-20-7-6-17(14-21(20)37-2)22-23-24(29-16-28-23)33-25(32-22)30-18-4-3-5-19(15-18)31-26(35)27-8-9-34-10-12-38-13-11-34/h3-7,14-16H,8-13H2,1-2H3,(H2,27,31,35)(H2,28,29,30,32,33) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 using RbING as substrate after 2 hrs by luminescence assay |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50382800
(CHEMBL2023418)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)C3CCNCC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C25H27N7O3/c1-34-19-7-6-16(12-20(19)35-2)21-22-23(28-14-27-22)32-25(31-21)30-18-5-3-4-17(13-18)29-24(33)15-8-10-26-11-9-15/h3-7,12-15,26H,8-11H2,1-2H3,(H,29,33)(H2,27,28,30,31,32) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 using RbING as substrate after 2 hrs by luminescence assay |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50382804
(CHEMBL2023200)Show SMILES COc1cc(ccc1N)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12 Show InChI InChI=1S/C23H24N8O2/c1-33-18-11-14(7-8-17(18)24)19-20-21(26-13-25-20)30-22(29-19)27-15-5-4-6-16(12-15)28-23(32)31-9-2-3-10-31/h4-8,11-13H,2-3,9-10,24H2,1H3,(H,28,32)(H2,25,26,27,29,30) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 using RbING as substrate after 2 hrs by luminescence assay |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50360582
(CHEMBL1933345)Show SMILES Oc1ccc(cc1)-c1nc(Nc2cccc(Cl)c2)nc2nc[nH]c12 Show InChI InChI=1S/C17H12ClN5O/c18-11-2-1-3-12(8-11)21-17-22-14(10-4-6-13(24)7-5-10)15-16(23-17)20-9-19-15/h1-9,24H,(H2,19,20,21,22,23) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 using RbING as substrate after 2 hrs by luminescence assay |
Bioorg Med Chem Lett 22: 2880-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.058
BindingDB Entry DOI: 10.7270/Q2668F6N |
More data for this
Ligand-Target Pair | |
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