Found 35 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)) | BDBM117036
(US8664236, A16 | US9238651, A16)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3Cl)c2c1 Show InChI InChI=1S/C23H21ClN8O/c1-31-13-15(11-28-31)14-8-16-17(12-27-22(16)26-10-14)19-9-21(30-23(25)29-19)32(6-7-33)20-5-3-2-4-18(20)24/h2-5,8-13,33H,6-7H2,1H3,(H,26,27)(H2,25,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117043
(US8664236, A23 | US9238651, A23)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC(O)=O)c3ccccc3Cl)c2c1 Show InChI InChI=1S/C24H21ClN8O2/c1-32-13-15(11-29-32)14-8-16-17(12-28-23(16)27-10-14)19-9-21(31-24(26)30-19)33(7-6-22(34)35)20-5-3-2-4-18(20)25/h2-5,8-13H,6-7H2,1H3,(H,27,28)(H,34,35)(H2,26,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117046
(US8664236, A26 | US9238651, A26)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3F)c2c1 Show InChI InChI=1S/C23H21FN8O/c1-31-13-15(11-28-31)14-8-16-17(12-27-22(16)26-10-14)19-9-21(30-23(25)29-19)32(6-7-33)20-5-3-2-4-18(20)24/h2-5,8-13,33H,6-7H2,1H3,(H,26,27)(H2,25,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117047
(US8664236, A27 | US9238651, A27)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N3CCOc4ccccc34)c2c1 Show InChI InChI=1S/C23H20N8O/c1-30-13-15(11-27-30)14-8-16-17(12-26-22(16)25-10-14)18-9-21(29-23(24)28-18)31-6-7-32-20-5-3-2-4-19(20)31/h2-5,8-13H,6-7H2,1H3,(H,25,26)(H2,24,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117045
(US8664236, A25 | US9238651, A25)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccc(F)cc3F)c2c1 Show InChI InChI=1S/C23H20F2N8O/c1-32-12-14(10-29-32)13-6-16-17(11-28-22(16)27-9-13)19-8-21(31-23(26)30-19)33(4-5-34)20-3-2-15(24)7-18(20)25/h2-3,6-12,34H,4-5H2,1H3,(H,27,28)(H2,26,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117049
(US8664236, A29 | US9238651, A29)Show SMILES COCCN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl Show InChI InChI=1S/C24H23ClN8O/c1-32-14-16(12-29-32)15-9-17-18(13-28-23(17)27-11-15)20-10-22(31-24(26)30-20)33(7-8-34-2)21-6-4-3-5-19(21)25/h3-6,9-14H,7-8H2,1-2H3,(H,27,28)(H2,26,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117030
(US8664236, A10 | US9238651, A10)Show SMILES CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl Show InChI InChI=1S/C22H19ClN8/c1-30-12-14(10-27-30)13-7-15-16(11-26-21(15)25-9-13)18-8-20(29-22(24)28-18)31(2)19-6-4-3-5-17(19)23/h3-12H,1-2H3,(H,25,26)(H2,24,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117050
(US8664236, A30 | US9238651, A30)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC#N)c3ccccc3)c2c1 Show InChI InChI=1S/C24H21N9/c1-32-15-17(13-29-32)16-10-19-20(14-28-23(19)27-12-16)21-11-22(31-24(26)30-21)33(9-5-8-25)18-6-3-2-4-7-18/h2-4,6-7,10-15H,5,9H2,1H3,(H,27,28)(H2,26,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117052
(US8664236, A31 | US9238651, A31)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCCN)c3ccccc3)c2c1 Show InChI InChI=1S/C24H25N9/c1-32-15-17(13-29-32)16-10-19-20(14-28-23(19)27-12-16)21-11-22(31-24(26)30-21)33(9-5-8-25)18-6-3-2-4-7-18/h2-4,6-7,10-15H,5,8-9,25H2,1H3,(H,27,28)(H2,26,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117029
(US8664236, A9 | US9238651, A9)Show SMILES CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1F Show InChI InChI=1S/C22H19FN8/c1-30-12-14(10-27-30)13-7-15-16(11-26-21(15)25-9-13)18-8-20(29-22(24)28-18)31(2)19-6-4-3-5-17(19)23/h3-12H,1-2H3,(H,25,26)(H2,24,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117041
(US8664236, A21 | US9238651, A21)Show SMILES COCC(O)CN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C25H26N8O2/c1-32-13-17(11-29-32)16-8-20-21(12-28-24(20)27-10-16)22-9-23(31-25(26)30-22)33(14-19(34)15-35-2)18-6-4-3-5-7-18/h3-13,19,34H,14-15H2,1-2H3,(H,27,28)(H2,26,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117032
(US8664236, A12 | US9238651, A12)Show SMILES CCN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C23H22N8/c1-3-31(17-7-5-4-6-8-17)21-10-20(28-23(24)29-21)19-13-26-22-18(19)9-15(11-25-22)16-12-27-30(2)14-16/h4-14H,3H2,1-2H3,(H,25,26)(H2,24,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117024
(US8664236, A4 | US9238651, A4)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3)c2c1 Show InChI InChI=1S/C23H22N8O/c1-30-14-16(12-27-30)15-9-18-19(13-26-22(18)25-11-15)20-10-21(29-23(24)28-20)31(7-8-32)17-5-3-2-4-6-17/h2-6,9-14,32H,7-8H2,1H3,(H,25,26)(H2,24,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117031
(US8664236, A11 | US9238651, A11)Show SMILES CN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C22H20N8/c1-29-13-15(11-26-29)14-8-17-18(12-25-21(17)24-10-14)19-9-20(28-22(23)27-19)30(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,25)(H2,23,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 16.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117056
(US8664236, A35 | US9238651, A35)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC(N)=O)c3ccccc3)c2c1 Show InChI InChI=1S/C24H23N9O/c1-32-14-16(12-29-32)15-9-18-19(13-28-23(18)27-11-15)20-10-22(31-24(26)30-20)33(8-7-21(25)34)17-5-3-2-4-6-17/h2-6,9-14H,7-8H2,1H3,(H2,25,34)(H,27,28)(H2,26,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117035
(US8664236, A15 | US9238651, A15)Show SMILES CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3Cl)c2c1 Show InChI InChI=1S/C25H25ClN8O/c1-15(2)34-14-17(12-30-34)16-9-18-19(13-29-24(18)28-11-16)21-10-23(32-25(27)31-21)33(7-8-35)22-6-4-3-5-20(22)26/h3-6,9-15,35H,7-8H2,1-2H3,(H,28,29)(H2,27,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117064
(US8664236, A43 | US9238651, A43)Show SMILES CC(=O)NCCCN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C26H27N9O/c1-17(36)28-9-6-10-35(20-7-4-3-5-8-20)24-12-23(32-26(27)33-24)22-15-30-25-21(22)11-18(13-29-25)19-14-31-34(2)16-19/h3-5,7-8,11-16H,6,9-10H2,1-2H3,(H,28,36)(H,29,30)(H2,27,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117025
(US8664236, A5 | US9238651, A5)Show SMILES COc1ccc(cc1)N(C[C@H](O)CO)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 |r| Show InChI InChI=1S/C25H26N8O3/c1-32-12-16(10-29-32)15-7-20-21(11-28-24(20)27-9-15)22-8-23(31-25(26)30-22)33(13-18(35)14-34)17-3-5-19(36-2)6-4-17/h3-12,18,34-35H,13-14H2,1-2H3,(H,27,28)(H2,26,30,31)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117039
(US8664236, A19 | US9238651, A19)Show SMILES CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(C)c3ccccc3Cl)c2c1 Show InChI InChI=1S/C24H23ClN8/c1-14(2)33-13-16(11-29-33)15-8-17-18(12-28-23(17)27-10-15)20-9-22(31-24(26)30-20)32(3)21-7-5-4-6-19(21)25/h4-14H,1-3H3,(H,27,28)(H2,26,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117021
(US8664236, A1 | US9238651, A1)Show SMILES CN(c1cccc(F)c1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C22H19FN8/c1-30-12-14(10-27-30)13-6-17-18(11-26-21(17)25-9-13)19-8-20(29-22(24)28-19)31(2)16-5-3-4-15(23)7-16/h3-12H,1-2H3,(H,25,26)(H2,24,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117063
(US8664236, A42 | US9238651, A42)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CC3)c3ccccc3F)c2c1 Show InChI InChI=1S/C24H20FN7/c1-32-13-15(11-29-32)14-8-16-17(12-28-22(16)27-10-14)20-9-21(31-23(26)30-20)24(6-7-24)18-4-2-3-5-19(18)25/h2-5,8-13H,6-7H2,1H3,(H,27,28)(H2,26,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 45.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117033
(US8664236, A13 | US9238651, A13)Show SMILES CCN(c1ccc(Cl)cc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C23H21ClN8/c1-3-32(17-6-4-16(24)5-7-17)21-9-20(29-23(25)30-21)19-12-27-22-18(19)8-14(10-26-22)15-11-28-31(2)13-15/h4-13H,3H2,1-2H3,(H,26,27)(H2,25,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117028
(US8664236, A8 | US9238651, A8)Show SMILES CN(c1cccc(Cl)c1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C22H19ClN8/c1-30-12-14(10-27-30)13-6-17-18(11-26-21(17)25-9-13)19-8-20(29-22(24)28-19)31(2)16-5-3-4-15(23)7-16/h3-12H,1-2H3,(H,25,26)(H2,24,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117034
(US8664236, A14 | US9238651, A14)Show SMILES CCN(Cc1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C24H24N8/c1-3-32(14-16-7-5-4-6-8-16)22-10-21(29-24(25)30-22)20-13-27-23-19(20)9-17(11-26-23)18-12-28-31(2)15-18/h4-13,15H,3,14H2,1-2H3,(H,26,27)(H2,25,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117023
(US8664236, A3 | US9238651, A3)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CC3)c3ccccc3)c2c1 Show InChI InChI=1S/C24H21N7/c1-31-14-16(12-28-31)15-9-18-19(13-27-22(18)26-11-15)20-10-21(30-23(25)29-20)24(7-8-24)17-5-3-2-4-6-17/h2-6,9-14H,7-8H2,1H3,(H,26,27)(H2,25,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 59.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117022
(US8664236, A2 | US9238651, A2)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C(C)(C)c3ccccc3)c2c1 Show InChI InChI=1S/C24H23N7/c1-24(2,17-7-5-4-6-8-17)21-10-20(29-23(25)30-21)19-13-27-22-18(19)9-15(11-26-22)16-12-28-31(3)14-16/h4-14H,1-3H3,(H,26,27)(H2,25,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117044
(US8664236, A24)Show SMILES COC(=O)CN(c1ccc(Cl)cc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C24H21ClN8O2/c1-32-12-15(10-29-32)14-7-18-19(11-28-23(18)27-9-14)20-8-21(31-24(26)30-20)33(13-22(34)35-2)17-5-3-16(25)4-6-17/h3-12H,13H2,1-2H3,(H,27,28)(H2,26,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117048
(US8664236, A28 | US9238651, A28)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCN3CCOCC3)c3cccc(F)c3)c2c1 Show InChI InChI=1S/C27H28FN9O/c1-35-17-19(15-32-35)18-11-22-23(16-31-26(22)30-14-18)24-13-25(34-27(29)33-24)37(21-4-2-3-20(28)12-21)6-5-36-7-9-38-10-8-36/h2-4,11-17H,5-10H2,1H3,(H,30,31)(H2,29,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117042
(US8664236, A22 | US9238651, A22)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CC(O)CO)c3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C25H23N9O2/c1-33-12-17(10-30-33)16-6-20-21(11-29-24(20)28-9-16)22-7-23(32-25(27)31-22)34(13-19(36)14-35)18-4-2-3-15(5-18)8-26/h2-7,9-12,19,35-36H,13-14H2,1H3,(H,28,29)(H2,27,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117026
(US8664236, A6 | US9238651, A6)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CCCC3)c3ccccc3)c2c1 Show InChI InChI=1S/C26H25N7/c1-33-16-18(14-30-33)17-11-20-21(15-29-24(20)28-13-17)22-12-23(32-25(27)31-22)26(9-5-6-10-26)19-7-3-2-4-8-19/h2-4,7-8,11-16H,5-6,9-10H2,1H3,(H,28,29)(H2,27,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117040
(US8664236, A20 | US9238651, A20)Show SMILES CCN(c1nncs1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C19H18N10S/c1-3-29(19-27-23-10-30-19)16-5-15(25-18(20)26-16)14-8-22-17-13(14)4-11(6-21-17)12-7-24-28(2)9-12/h4-10H,3H2,1-2H3,(H,21,22)(H2,20,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117051
(US8664236, A30a | US9238651, A30a)Show SMILES CN(c1cccc(F)c1)c1cc(ncn1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C22H18FN7/c1-29-12-15(10-28-29)14-6-18-19(11-25-22(18)24-9-14)20-8-21(27-13-26-20)30(2)17-5-3-4-16(23)7-17/h3-13H,1-2H3,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117037
(US8664236, A17 | US9238651, A17)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N3CCc4cc(F)ccc34)c2c1 Show InChI InChI=1S/C23H19FN8/c1-31-12-15(10-28-31)14-7-17-18(11-27-22(17)26-9-14)19-8-21(30-23(25)29-19)32-5-4-13-6-16(24)2-3-20(13)32/h2-3,6-12H,4-5H2,1H3,(H,26,27)(H2,25,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117027
(US8664236, A7 | US9238651, A7)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CCCC3)c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C26H24ClN7/c1-34-15-17(13-31-34)16-10-20-21(14-30-24(20)29-12-16)22-11-23(33-25(28)32-22)26(8-2-3-9-26)18-4-6-19(27)7-5-18/h4-7,10-15H,2-3,8-9H2,1H3,(H,29,30)(H2,28,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM117038
(US8664236, A18 | US9238651, A18)Show SMILES CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N3CCc4cc(F)ccc34)c2c1 Show InChI InChI=1S/C25H23FN8/c1-14(2)34-13-17(11-30-34)16-8-19-20(12-29-24(19)28-10-16)21-9-23(32-25(27)31-21)33-6-5-15-7-18(26)3-4-22(15)33/h3-4,7-14H,5-6H2,1-2H3,(H,28,29)(H2,27,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH
US Patent
| Assay Description
The compound inhibits the target protein in the enzymatic PDK1 inhibition assay. |
US Patent US8664236 (2014)
BindingDB Entry DOI: 10.7270/Q2RX99RR |
More data for this
Ligand-Target Pair | |
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