Found 87 hits with Last Name = 'crawford' and Initial = 'k' 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 |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM50188913
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of PKA |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of PKA |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of Kit |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of PKCa |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of CamK2alpha |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50380371
(CHEMBL2017970)Show SMILES Nc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(n2)N2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C22H19F3N8O/c23-22(24,25)19-15(12-28-20(26)32-19)17-10-18(31-21(30-17)33-5-7-34-8-6-33)29-14-9-13-3-1-2-4-16(13)27-11-14/h1-4,9-12H,5-8H2,(H2,26,28,32)(H,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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha using 1-alpha-phosphotidylinositol as substrate by ATP depletion assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50380366
(CHEMBL2017965)Show SMILES Nc1cc(Cl)c(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C22H20ClN7O/c23-17-10-20(24)26-13-16(17)19-11-21(29-22(28-19)30-5-7-31-8-6-30)27-15-9-14-3-1-2-4-18(14)25-12-15/h1-4,9-13H,5-8H2,(H2,24,26)(H,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha using 1-alpha-phosphotidylinositol as substrate by ATP depletion assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50188913
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of AKT3 in presence of 0.2 uM ATP |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50380369
(CHEMBL2017968)Show SMILES Nc1ncc(c(N)n1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C21H21N9O/c22-19-15(12-25-20(23)29-19)17-10-18(28-21(27-17)30-5-7-31-8-6-30)26-14-9-13-3-1-2-4-16(13)24-11-14/h1-4,9-12H,5-8H2,(H,26,27,28)(H4,22,23,25,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha using 1-alpha-phosphotidylinositol as substrate by ATP depletion assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50188913
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of AKT3 in presence of 0.2 uM ATP |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50380367
(CHEMBL2017966)Show SMILES Nc1cc(C#N)c(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C23H20N8O/c24-12-16-10-21(25)27-14-18(16)20-11-22(30-23(29-20)31-5-7-32-8-6-31)28-17-9-15-3-1-2-4-19(15)26-13-17/h1-4,9-11,13-14H,5-8H2,(H2,25,27)(H,28,29,30) | 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 | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha using 1-alpha-phosphotidylinositol as substrate by ATP depletion assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50188945
(CHEMBL379507 | N-(1-amino-3-(2,4-dichlorophenyl)pr...)Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)NC(CN)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of AKT3 in presence of 0.2 uM ATP |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of AKT3 |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50188913
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of AKT1 |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50380370
(CHEMBL2017969)Show SMILES Nc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(n2)N2CCOCC2)c(=O)[nH]1 Show InChI InChI=1S/C21H20N8O2/c22-20-24-12-15(19(30)28-20)17-10-18(27-21(26-17)29-5-7-31-8-6-29)25-14-9-13-3-1-2-4-16(13)23-11-14/h1-4,9-12H,5-8H2,(H,25,26,27)(H3,22,24,28,30) | 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 | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha using 1-alpha-phosphotidylinositol as substrate by ATP depletion assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50380372
(CHEMBL2016592)Show SMILES Cc1nc(N)ncc1-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C22H22N8O/c1-14-17(13-25-21(23)26-14)19-11-20(29-22(28-19)30-6-8-31-9-7-30)27-16-10-15-4-2-3-5-18(15)24-12-16/h2-5,10-13H,6-9H2,1H3,(H2,23,25,26)(H,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha using 1-alpha-phosphotidylinositol as substrate by ATP depletion assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of AKT2 |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50188929
(CHEMBL384964 | N-((S)-1-(2,4-dichlorophenyl)-3-(di...)Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN(C)C)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H23Cl2N5OS/c1-24-21-25-9-8-17(27-21)18-6-7-19(30-18)20(29)26-15(12-28(2)3)10-13-4-5-14(22)11-16(13)23/h4-9,11,15H,10,12H2,1-3H3,(H,26,29)(H,24,25,27)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of AKT3 in presence of 0.2 uM ATP |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
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Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of AKT1 |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of GSK3 |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50380377
(CHEMBL2017977 | WO2007/084786, Compound 85)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)14-11(10-22-15(21)25-14)12-9-13(26-1-5-28-6-2-26)24-16(23-12)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22,25) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha using 1-alpha-phosphotidylinositol as substrate by ATP depletion assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50380376
(CHEMBL2017976)Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCOCC2)c(=O)[nH]1 Show InChI InChI=1S/C16H21N7O3/c17-15-18-10-11(14(24)21-15)12-9-13(22-1-5-25-6-2-22)20-16(19-12)23-3-7-26-8-4-23/h9-10H,1-8H2,(H3,17,18,21,24) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha using 1-alpha-phosphotidylinositol as substrate by ATP depletion assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50380365
(CHEMBL2017971)Show InChI InChI=1S/C16H21N7O2/c17-15-18-10-12(11-19-15)13-9-14(22-1-5-24-6-2-22)21-16(20-13)23-3-7-25-8-4-23/h9-11H,1-8H2,(H2,17,18,19) | 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 | 18.4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha using 1-alpha-phosphotidylinositol as substrate by ATP depletion assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50380368
(CHEMBL2017967)Show SMILES Nc1cc(c(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C23H20F3N7O/c24-23(25,26)17-10-20(27)29-13-16(17)19-11-21(32-22(31-19)33-5-7-34-8-6-33)30-15-9-14-3-1-2-4-18(14)28-12-15/h1-4,9-13H,5-8H2,(H2,27,29)(H,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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha using 1-alpha-phosphotidylinositol as substrate by ATP depletion assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50188913
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of AKT2 |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50380375
(CHEMBL2017975)Show SMILES Nc1ncc(c(N)n1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C16H22N8O2/c17-14-11(10-19-15(18)22-14)12-9-13(23-1-5-25-6-2-23)21-16(20-12)24-3-7-26-8-4-24/h9-10H,1-8H2,(H4,17,18,19,22) | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha using 1-alpha-phosphotidylinositol as substrate by ATP depletion assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50188927
(CHEMBL385143 | N-((S)-4-amino-1-(2,4-dichloropheny...)Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CCN)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H21Cl2N5OS/c1-24-20-25-9-7-16(27-20)17-4-5-18(29-17)19(28)26-14(6-8-23)10-12-2-3-13(21)11-15(12)22/h2-5,7,9,11,14H,6,8,10,23H2,1H3,(H,26,28)(H,24,25,27)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of AKT3 in presence of 0.2 uM ATP |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50380363
(CHEMBL2017974 | US10173995, Compound 1)Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha using 1-alpha-phosphotidylinositol as substrate by ATP depletion assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50380373
(CHEMBL2017972)Show SMILES Nc1cc(Cl)c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H21ClN6O2/c18-13-9-15(19)20-11-12(13)14-10-16(23-1-5-25-6-2-23)22-17(21-14)24-3-7-26-8-4-24/h9-11H,1-8H2,(H2,19,20) | 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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha using 1-alpha-phosphotidylinositol as substrate by ATP depletion assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50380363
(CHEMBL2017974 | US10173995, Compound 1)Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3K p110alpha subunit using [gamma33P]ATP by filter binding assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50188913
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of PKCa |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50380374
(CHEMBL2017973)Show SMILES Nc1cc(C#N)c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C18H21N7O2/c19-11-13-9-16(20)21-12-14(13)15-10-17(24-1-5-26-6-2-24)23-18(22-15)25-3-7-27-8-4-25/h9-10,12H,1-8H2,(H2,20,21) | 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 | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha using 1-alpha-phosphotidylinositol as substrate by ATP depletion assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50336868
(CHEMBL1672316 | N-(6-(6-aminopyridin-3-yl)-2-morph...)Show SMILES Nc1ccc(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C22H21N7O/c23-20-6-5-16(13-25-20)19-12-21(28-22(27-19)29-7-9-30-10-8-29)26-17-11-15-3-1-2-4-18(15)24-14-17/h1-6,11-14H,7-10H2,(H2,23,25)(H,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha using 1-alpha-phosphotidylinositol as substrate by ATP depletion assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50188913
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of Kit |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50380363
(CHEMBL2017974 | US10173995, Compound 1)Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3K p110delta subunit using [gamma33P]ATP by filter binding assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of Met |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of RAF1 |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50380364
(CHEMBL2017978)Show SMILES COc1ccc(Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)cc1OC Show InChI InChI=1S/C20H23N7O3/c1-28-16-4-3-14(9-17(16)29-2)24-18-10-15(13-11-22-19(21)23-12-13)25-20(26-18)27-5-7-30-8-6-27/h3-4,9-12H,5-8H2,1-2H3,(H2,21,22,23)(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 142 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50380363
(CHEMBL2017974 | US10173995, Compound 1)Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 166 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3K p110beta subunit using [gamma33P]ATP by filter binding assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50188941
(CHEMBL380165 | N-((R)-1-amino-3-(2,4-dichloropheny...)Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@@H](CN)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of AKT3 in presence of 0.2 uM ATP |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50380363
(CHEMBL2017974 | US10173995, Compound 1)Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 262 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3K p110gamma subunit using [gamma33P]ATP by filter binding assay |
ACS Med Chem Lett 2: 774-779 (2011)
Article DOI: 10.1021/ml200156t BindingDB Entry DOI: 10.7270/Q2N29XXW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50188944
(CHEMBL211578 | N-((S)-3-(2,4-dichlorophenyl)-1-hyd...)Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CO)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H18Cl2N4O2S/c1-22-19-23-7-6-15(25-19)16-4-5-17(28-16)18(27)24-13(10-26)8-11-2-3-12(20)9-14(11)21/h2-7,9,13,26H,8,10H2,1H3,(H,24,27)(H,22,23,25)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of AKT3 in presence of 0.2 uM ATP |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 3
(Homo sapiens (Human)) | BDBM50188913
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of ERK1 |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50188947
(CHEMBL377568 | N-(2,4-dichlorophenethyl)-5-(2-amin...)Show SMILES Nc1nccc(n1)-c1ccc(s1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C17H14Cl2N4OS/c18-11-2-1-10(12(19)9-11)5-7-21-16(24)15-4-3-14(25-15)13-6-8-22-17(20)23-13/h1-4,6,8-9H,5,7H2,(H,21,24)(H2,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of AKT3 in presence of 0.2 uM ATP |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50188942
(CHEMBL212450 | N-(2-(2,4-dichlorophenyl)propyl)-5-...)Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)NCC(C)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H18Cl2N4OS/c1-11(13-4-3-12(20)9-14(13)21)10-24-18(26)17-6-5-16(27-17)15-7-8-23-19(22-2)25-15/h3-9,11H,10H2,1-2H3,(H,24,26)(H,22,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of AKT3 in presence of 0.2 uM ATP |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50188946
(CHEMBL379263 | N-((R)-1-(2,4-dichlorophenyl)propan...)Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H18Cl2N4OS/c1-11(9-12-3-4-13(20)10-14(12)21)24-18(26)17-6-5-16(27-17)15-7-8-23-19(22-2)25-15/h3-8,10-11H,9H2,1-2H3,(H,24,26)(H,22,23,25)/t11-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of AKT3 in presence of 0.2 uM ATP |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50188912
(CHEMBL209838 | N-(2,4-dichlorophenethyl)-5-(2-(met...)Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H16Cl2N4OS/c1-21-18-23-9-7-14(24-18)15-4-5-16(26-15)17(25)22-8-6-11-2-3-12(19)10-13(11)20/h2-5,7,9-10H,6,8H2,1H3,(H,22,25)(H,21,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of AKT3 in presence of 0.2 uM ATP |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50188918
(CHEMBL211570 | N-(2-(2,4-dichlorophenyl)butyl)-5-(...)Show SMILES CCC(CNC(=O)c1ccc(s1)-c1ccnc(NC)n1)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H20Cl2N4OS/c1-3-12(14-5-4-13(21)10-15(14)22)11-25-19(27)18-7-6-17(28-18)16-8-9-24-20(23-2)26-16/h4-10,12H,3,11H2,1-2H3,(H,25,27)(H,23,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of AKT3 in presence of 0.2 uM ATP |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50188913
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of Met |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50188928
(CHEMBL376004 | N-(4-chlorophenethyl)-5-(2-(methyla...)Show InChI InChI=1S/C18H17ClN4OS/c1-20-18-22-11-9-14(23-18)15-6-7-16(25-15)17(24)21-10-8-12-2-4-13(19)5-3-12/h2-7,9,11H,8,10H2,1H3,(H,21,24)(H,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description Inhibition of AKT3 in presence of 0.2 uM ATP |
Bioorg Med Chem Lett 16: 4163-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.092 BindingDB Entry DOI: 10.7270/Q24M945C |
More data for this Ligand-Target Pair | |