Found 40 hits with Last Name = 'wells' and Initial = 'ja' 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 |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM21447
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-XL assessed as inhibition of Bcl-XL-BAD derived peptide interaction |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | |
Interleukin-2
(Homo sapiens (Human)) | BDBM50229786
(5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-P...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](\[#7+]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1cc(nn1-[#6])-c1ccc(-[#8]-[#6]-c2ccc(o2)-[#6](-[#8-])=O)c(Cl)c1Cl Show InChI InChI=1S/C30H37Cl2N7O6/c1-16(2)12-21(36-30(33)34)28(41)35-14-25(40)39-10-8-17(9-11-39)22-13-20(37-38(22)3)19-5-7-23(27(32)26(19)31)44-15-18-4-6-24(45-18)29(42)43/h4-7,13,16-17,21H,8-12,14-15H2,1-3H3,(H,35,41)(H,42,43)(H4,33,34,36) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to IL2 assessed as inhibition of IL2-IL2Ralpha interaction |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50526692
(CHEMBL1230881)Show SMILES CC(C)(C)c1ccc(cc1[N+]([O-])=O)C(=O)NNC(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C22H22N4O4/c1-22(2,3)17-12-11-15(13-19(17)26(29)30)20(27)24-25-21(28)23-18-10-6-8-14-7-4-5-9-16(14)18/h4-13H,1-3H3,(H,24,27)(H2,23,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 146 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of wild-type human CHK1 (1 to 289 residues) expressed in baculovirus infected Sf21 insect cells preincubated for 15 mins followed by ATP a... |
J Med Chem 62: 6512-6524 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00089 BindingDB Entry DOI: 10.7270/Q25X2DC4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cell division protein ZipA
(Escherichia coli (strain K12)) | BDBM50162319
(2-(4-(4-(2-(3-chloro-4-methylphenylamino)pyrimidin...)Show SMILES Cc1ccc(Nc2nccc(n2)-c2ccnc(c2)N2CCN(CC[NH3+])CC2)cc1Cl Show InChI InChI=1S/C22H26ClN7/c1-16-2-3-18(15-19(16)23)27-22-26-8-5-20(28-22)17-4-7-25-21(14-17)30-12-10-29(9-6-24)11-13-30/h2-5,7-8,14-15H,6,9-13,24H2,1H3,(H,26,27,28)/p+1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to Escherichia coli ZipA assessed as inhibition of ZipA-FtsZ derived peptide interaction |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453891
(CHEMBL4214567)Show SMILES Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human EGFR L858R/T790M mutant (696 to 1022 residues) expressed in Sf9 insect cells by HTRF assay |
J Med Chem 62: 6512-6524 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00089 BindingDB Entry DOI: 10.7270/Q25X2DC4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50373072
(CHEMBL402005)Show SMILES [O-][N+](=O)c1cc(ccc1NCCS1=CC=CC=C1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1 |c:15,17,t:13,(4.19,-10.53,;2.85,-9.76,;2.84,-8.22,;1.51,-10.54,;.19,-9.79,;-1.13,-10.55,;-1.14,-12.08,;.19,-12.85,;1.51,-12.08,;2.85,-12.85,;4.18,-12.08,;5.52,-12.85,;6.85,-12.08,;8.19,-12.85,;9.52,-12.08,;9.52,-10.54,;8.17,-9.77,;6.85,-10.55,;-2.46,-9.78,;-1.69,-8.45,;-3.21,-11.13,;-3.79,-9.02,;-5.13,-9.8,;-6.46,-9.04,;-5.12,-11.34,;-3.78,-12.11,;-3.77,-13.65,;-5.1,-14.42,;-6.44,-13.66,;-6.45,-12.13,;-5.09,-15.96,;-6.42,-16.73,;-6.42,-18.28,;-5.09,-19.05,;-5.09,-20.59,;-3.74,-18.28,;-3.75,-16.72,)| Show InChI InChI=1S/C26H22FN3O5S2/c27-22-10-8-20(9-11-22)19-4-6-21(7-5-19)26(31)29-37(34,35)23-12-13-24(25(18-23)30(32)33)28-14-17-36-15-2-1-3-16-36/h1-13,15-16,18,28H,14,17H2,(H,29,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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 |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-XL |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to human HDM2 assessed as inhibition of HDM2-p53 interaction |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50325999
(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)Show SMILES NC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 267 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of wild-type BCR-ABL (unknown origin) expressed in mouse Ba/F3 cells as cell growth inhibition after 48 hrs by MTT assay |
J Med Chem 62: 6512-6524 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00089 BindingDB Entry DOI: 10.7270/Q25X2DC4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50526695
(BI-78D3 | CHEMBL508280)Show SMILES Oc1nnc(Sc2ncc(s2)[N+]([O-])=O)n1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C13H9N5O5S2/c19-11-15-16-12(25-13-14-6-10(24-13)18(20)21)17(11)7-1-2-8-9(5-7)23-4-3-22-8/h1-2,5-6H,3-4H2,(H,15,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of JNK1 (unknown origin) using ATF2 as substrate after 1 hr by Lanthascreen TR-FRET assay |
J Med Chem 62: 6512-6524 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00089 BindingDB Entry DOI: 10.7270/Q25X2DC4 |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM31285
(BMCL163310 Compound 1 | CHEMBL361103 | benzodiazep...)Show SMILES OC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to human HDM2 |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50431630
(KRX-0401 | PERIFOSINE)Show SMILES CCCCCCCCCCCCCCCCCCOP([O-])(=O)OC1CC[N+](C)(C)CC1 Show InChI InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of wild-type human P38alpha MAPK expressed in Escherichia coli Rosetta cells |
J Med Chem 62: 6512-6524 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00089 BindingDB Entry DOI: 10.7270/Q25X2DC4 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50526693
(CHEMBL4445946)Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)C[C@H]1OCC(C)C)OC |r| Show InChI InChI=1S/C32H65O10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-39-24-27(38-4)25-41-43(36,37)42-32-29(40-23-26(2)3)22-28(33)30(34)31(32)35/h26-35H,5-25H2,1-4H3,(H,36,37)/t27-,28-,29-,30+,31-,32-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of wild-type human P38alpha MAPK expressed in Escherichia coli Rosetta cells |
J Med Chem 62: 6512-6524 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00089 BindingDB Entry DOI: 10.7270/Q25X2DC4 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50526696
(CHEMBL4459106)Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)C[C@H]1OCC1CCCCC1)OC |r| Show InChI InChI=1S/C35H69O10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-42-27-30(41-2)28-44-46(39,40)45-35-32(25-31(36)33(37)34(35)38)43-26-29-22-19-18-20-23-29/h29-38H,3-28H2,1-2H3,(H,39,40)/t30-,31-,32-,33+,34-,35-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of wild-type human P38alpha MAPK expressed in Escherichia coli Rosetta cells |
J Med Chem 62: 6512-6524 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00089 BindingDB Entry DOI: 10.7270/Q25X2DC4 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50379277
(CHEMBL90825)Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc(C)cc(C)n1 Show InChI InChI=1S/C24H27N7/c1-4-5-14-31(24-25-17(2)15-18(3)26-24)16-19-10-12-20(13-11-19)21-8-6-7-9-22(21)23-27-29-30-28-23/h6-13,15H,4-5,14,16H2,1-3H3,(H,27,28,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
| MMDB Article PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of C-terminal His6-tagged human JNK1alpha1 (1 to 364 residues) expressed in Escherichia coli BL21(DE3) cells assessed as reduction in MKK7... |
J Med Chem 62: 6512-6524 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00089 BindingDB Entry DOI: 10.7270/Q25X2DC4 |
More data for this Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50326058
(CHEMBL1242213 | N-(3-(imidazo[1,2-a]pyridin-2-yl)p...)Show SMILES COc1cccc2cc(C(=O)Nc3cccc(c3)-c3cn4ccccc4n3)c(=O)oc12 Show InChI InChI=1S/C24H17N3O4/c1-30-20-9-5-7-16-13-18(24(29)31-22(16)20)23(28)25-17-8-4-6-15(12-17)19-14-27-11-3-2-10-21(27)26-19/h2-14H,1H3,(H,25,28) | 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 | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of mature Caspase3 |
Nat Chem Biol 6: 179-188 (2010)
Article DOI: 10.1038/nchembio.318 BindingDB Entry DOI: 10.7270/Q25Q4W9Q |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125816
(CHEMBL1439113)Show InChI InChI=1S/C19H20N2O3S/c1-13-6-5-7-14(2)18(13)24-10-11-25-19-20-15-8-3-4-9-16(15)21(19)12-17(22)23/h3-9H,10-12H2,1-2H3,(H,22,23) | 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
| PDB Article PubMed
| n/a | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125790
(CHEMBL3623846)Show SMILES OP(O)(=O)[C@H](NC[C@@H]1CCCc2ccccc12)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H21FNO3P/c19-16-10-8-14(9-11-16)18(24(21,22)23)20-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-2,4,7-11,15,18,20H,3,5-6,12H2,(H2,21,22,23)/t15-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 3.94E+4 | n/a | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125817
(CHEMBL3623845)Show SMILES OC(=O)C\C(=C\c1cccc(c1)C(F)(F)F)c1nc2ccccc2o1 Show InChI InChI=1S/C18H12F3NO3/c19-18(20,21)13-5-3-4-11(9-13)8-12(10-16(23)24)17-22-14-6-1-2-7-15(14)25-17/h1-9H,10H2,(H,23,24)/b12-8- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125791
(CHEMBL3623844)Show InChI InChI=1S/C19H20N2O3S/c1-13-7-8-17(14(2)11-13)24-9-10-25-19-20-15-5-3-4-6-16(15)21(19)12-18(22)23/h3-8,11H,9-10,12H2,1-2H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 3.91E+4 | n/a | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125816
(CHEMBL1439113)Show InChI InChI=1S/C19H20N2O3S/c1-13-6-5-7-14(2)18(13)24-10-11-25-19-20-15-8-3-4-9-16(15)21(19)12-17(22)23/h3-9H,10-12H2,1-2H3,(H,22,23) | 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
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Activation of human PDK1 catalytic activity using PIFtide as substrate after 1 hr by phosphor imager analysis in presence of [gamma-32P]-ATP relative... |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50373071
(CHEMBL255489)Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to TNF |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cell division protein ZipA
(Escherichia coli (strain K12)) | BDBM50162321
(CHEMBL369180 | N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZ...)Show SMILES CN(C(C)=O)c1cccc(c1)-c1nnc2ccc(nn12)-c1ccccc1 Show InChI InChI=1S/C20H17N5O/c1-14(26)24(2)17-10-6-9-16(13-17)20-22-21-19-12-11-18(23-25(19)20)15-7-4-3-5-8-15/h3-13H,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 8.31E+4 | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to Escherichia coli ZipA |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM31285
(BMCL163310 Compound 1 | CHEMBL361103 | benzodiazep...)Show SMILES OC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to human HDM2 |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50526694
(CHEMBL4592040)Show InChI InChI=1S/C15H9ClN2O2S3/c16-9-5-6-11-13(7-9)22-15(17-11)18-23(19,20)14-8-21-12-4-2-1-3-10(12)14/h1-8H,(H,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Displacement of fluorescent PIFtide from PDK1 (50 to 359 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for ... |
J Med Chem 62: 6512-6524 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00089 BindingDB Entry DOI: 10.7270/Q25X2DC4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM56130
(2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]ace...)Show InChI InChI=1S/C17H16N2O3S/c20-16(21)12-19-15-9-5-4-8-14(15)18-17(19)23-11-10-22-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125815
(CHEMBL2139600)Show InChI InChI=1S/C18H18N2O4S/c1-23-15-8-4-5-9-16(15)24-10-11-25-18-19-13-6-2-3-7-14(13)20(18)12-17(21)22/h2-9H,10-12H2,1H3,(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125813
(CHEMBL1310463)Show InChI InChI=1S/C17H15FN2O3S/c18-12-5-1-4-8-15(12)23-9-10-24-17-19-13-6-2-3-7-14(13)20(17)11-16(21)22/h1-8H,9-11H2,(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125812
(CHEMBL3623847)Show InChI InChI=1S/C18H18N2O3S/c1-13-6-2-5-9-16(13)23-10-11-24-18-19-14-7-3-4-8-15(14)20(18)12-17(21)22/h2-9H,10-12H2,1H3,(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125810
(CHEMBL3623848)Show InChI InChI=1S/C19H20N2O3S/c1-13-6-5-9-17(14(13)2)24-10-11-25-19-20-15-7-3-4-8-16(15)21(19)12-18(22)23/h3-9H,10-12H2,1-2H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.10E+5 | n/a | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125807
(CHEMBL1382642)Show InChI InChI=1S/C19H20N2O3S/c1-14-6-2-5-9-17(14)24-12-13-25-19-20-15-7-3-4-8-16(15)21(19)11-10-18(22)23/h2-9H,10-13H2,1H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 7.40E+4 | n/a | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50387244
(CHEMBL1549031)Show InChI InChI=1S/C16H14N2O2S/c19-15(20)10-18-14-9-5-4-8-13(14)17-16(18)21-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125804
(CHEMBL1568528)Show InChI InChI=1S/C20H16N2O2S/c23-19(24)12-22-18-11-4-3-10-17(18)21-20(22)25-13-15-8-5-7-14-6-1-2-9-16(14)15/h1-11H,12-13H2,(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125800
(CHEMBL3623849)Show InChI InChI=1S/C17H16N2O3S/c20-16(21)12-23-17-18-14-8-4-5-9-15(14)19(17)10-11-22-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125798
(CHEMBL1559959)Show InChI InChI=1S/C18H18N2O3S/c1-13-5-4-6-14(11-13)23-10-9-20-16-8-3-2-7-15(16)19-18(20)24-12-17(21)22/h2-8,11H,9-10,12H2,1H3,(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125797
(CHEMBL3623850)Show SMILES C[C@@H](CN[C@H](c1ccc(F)c(F)c1)P(O)(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C16H18F2NO3P/c1-11(12-5-3-2-4-6-12)10-19-16(23(20,21)22)13-7-8-14(17)15(18)9-13/h2-9,11,16,19H,10H2,1H3,(H2,20,21,22)/t11-,16-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 8.30E+4 | n/a | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125795
(CHEMBL3623851)Show SMILES C[C@@H](CN[C@H](c1ccccc1)P(O)(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C16H20NO3P/c1-13(14-8-4-2-5-9-14)12-17-16(21(18,19)20)15-10-6-3-7-11-15/h2-11,13,16-17H,12H2,1H3,(H2,18,19,20)/t13-,16-/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 | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125794
(CHEMBL3623852)Show SMILES OP(O)(=O)[C@H](NCCc1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C15H16F2NO3P/c16-13-5-1-11(2-6-13)9-10-18-15(22(19,20)21)12-3-7-14(17)8-4-12/h1-8,15,18H,9-10H2,(H2,19,20,21)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125792
(CHEMBL3623853)Show SMILES C[C@H](CN[C@H](c1ccc(F)cc1)P(O)(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C16H19FNO3P/c1-12(13-5-3-2-4-6-13)11-18-16(22(19,20)21)14-7-9-15(17)10-8-14/h2-10,12,16,18H,11H2,1H3,(H2,19,20,21)/t12-,16+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125790
(CHEMBL3623846)Show SMILES OP(O)(=O)[C@H](NC[C@@H]1CCCc2ccccc12)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H21FNO3P/c19-16-10-8-14(9-11-16)18(24(21,22)23)20-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-2,4,7-11,15,18,20H,3,5-6,12H2,(H2,21,22,23)/t15-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Activation of human PDK1 catalytic activity using PIFtide as substrate after 1 hr by phosphor imager analysis in presence of [gamma-32P]-ATP relative... |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50125791
(CHEMBL3623844)Show InChI InChI=1S/C19H20N2O3S/c1-13-7-8-17(14(2)11-13)24-9-10-25-19-20-15-5-3-4-6-16(15)21(19)12-18(22)23/h3-8,11H,9-10,12H2,1-2H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a |
Bioinformatics Institute (BII)
Curated by ChEMBL
| Assay Description Activation of human PDK1 catalytic activity using PIFtide as substrate after 1 hr by phosphor imager analysis in presence of [gamma-32P]-ATP relative... |
J Med Chem 58: 8285-91 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2 |
More data for this Ligand-Target Pair | |