Found 3615 hits with Last Name = 'bhide' and Initial = 'r' 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 |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50184807
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory activity against VEGFR2 |
J Med Chem 49: 2143-6 (2006)
Article DOI: 10.1021/jm051106d BindingDB Entry DOI: 10.7270/Q2WW7H7N |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50184807
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory activity against VEGFR2 |
J Med Chem 49: 2143-6 (2006)
Article DOI: 10.1021/jm051106d BindingDB Entry DOI: 10.7270/Q2WW7H7N |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Mus musculus) | BDBM50184807
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory activity against Flk1 |
J Med Chem 49: 2143-6 (2006)
Article DOI: 10.1021/jm051106d BindingDB Entry DOI: 10.7270/Q2WW7H7N |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50184807
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory activity against VEGFR1 |
J Med Chem 49: 2143-6 (2006)
Article DOI: 10.1021/jm051106d BindingDB Entry DOI: 10.7270/Q2WW7H7N |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50168389
(CHEMBL195218 | [4-(2,4-Difluoro-5-methoxycarbamoyl...)Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F Show InChI InChI=1S/C22H26F2N6O6S/c1-12(2)18-17(28-22(32)36-6-5-7-37(4,33)34)10-30-19(18)20(25-11-26-30)27-16-8-13(21(31)29-35-3)14(23)9-15(16)24/h8-12H,5-7H2,1-4H3,(H,28,32)(H,29,31)(H,25,26,27) | 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 | 0.0620 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human vascular endothelial growth factor receptor 2 (VEGFR-2) |
J Med Chem 48: 3991-4008 (2005)
Article DOI: 10.1021/jm0501275 BindingDB Entry DOI: 10.7270/Q2KP81QN |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239718
(CHEMBL4064666 | US10214537, Example 639)Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C22H20F3N7O2/c1-12(33)31-7-6-30(20(34)21(31,2)3)16-8-13(4-5-14(16)10-26)17-9-15(22(23,24)25)18-19(27)28-11-29-32(17)18/h4-5,8-9,11H,6-7H2,1-3H3,(H2,27,28,29) | 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 | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine |
J Med Chem 60: 5193-5208 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00618 BindingDB Entry DOI: 10.7270/Q2WW7KVJ |
More data for this Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM456266
(((R)-1-(5-(((2-hydroxy-2- (4-methyl-1-oxo-1,3- dih...)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CNCc1ccc(nc1)-n1cc(cn1)C#N |r| Show InChI InChI=1S/C21H19N5O3/c1-13-16(3-4-17-18(13)12-29-21(17)28)19(27)10-23-7-14-2-5-20(24-8-14)26-11-15(6-22)9-25-26/h2-5,8-9,11,19,23,27H,7,10,12H2,1H3/t19-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2), 1 Mg... |
US Patent US10723723 (2020)
BindingDB Entry DOI: 10.7270/Q22Z18K6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358601
((S)-4-acetyl-1-(5-(4-amino-5- chloropyrrolo[2,1-f]...)Show SMILES C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H22ClFN6O2/c1-11-9-27(12(2)30)21(3,4)20(31)28(11)17-7-13(5-6-15(17)23)16-8-14(22)18-19(24)25-10-26-29(16)18/h5-8,10-11H,9H2,1-4H3,(H2,24,25,26)/t11-/m0/s1 | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358604
((S)-4-acetyl-1-(5-(4-amino-5-(1-((S)- 1,1,1-triflu...)Show SMILES C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(-c2ccnn2C(C(F)(F)F)C(F)(F)F)c2c(N)ncnn12 |r| Show InChI InChI=1S/C27H25F7N8O2/c1-13-11-39(14(2)43)25(3,4)24(44)40(13)20-9-15(5-6-17(20)28)19-10-16(21-22(35)36-12-38-41(19)21)18-7-8-37-42(18)23(26(29,30)31)27(32,33)34/h5-10,12-13,23H,11H2,1-4H3,(H2,35,36,38)/t13-/m0/s1 | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358606
((S)-4-acetyl-1-(5-(4-amino-5-(1- methyl-1H-pyrazol...)Show SMILES C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12 |r| Show InChI InChI=1S/C25H27FN8O2/c1-14-11-32(15(2)35)25(3,4)24(36)33(14)21-8-16(6-7-19(21)26)20-9-18(17-10-29-31(5)12-17)22-23(27)28-13-30-34(20)22/h6-10,12-14H,11H2,1-5H3,(H2,27,28,30)/t14-/m0/s1 | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358608
(2-(4-acetyl-3-ethyl-3-methyl-2- oxopiperazin-1-yl)...)Show SMILES CCC1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12)C(C)=O Show InChI InChI=1S/C22H22ClN7O2/c1-4-22(3)21(32)28(7-8-29(22)13(2)31)17-9-14(5-6-15(17)11-24)18-10-16(23)19-20(25)26-12-27-30(18)19/h5-6,9-10,12H,4,7-8H2,1-3H3,(H2,25,26,27) | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358610
((R)-2-(4-acetyl-3-ethyl-3-methyl-2- oxopiperazin-1...)Show SMILES CC[C@@]1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12)C(C)=O |r| Show InChI InChI=1S/C22H22ClN7O2/c1-4-22(3)21(32)28(7-8-29(22)13(2)31)17-9-14(5-6-15(17)11-24)18-10-16(23)19-20(25)26-12-27-30(18)19/h5-6,9-10,12H,4,7-8H2,1-3H3,(H2,25,26,27)/t22-/m1/s1 | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358613
((S)-2-(4-acetyl-3-ethyl-3-methyl-2- oxopiperazin-1...)Show SMILES CC[C@]1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(C)=O |r| Show InChI InChI=1S/C23H22F3N7O2/c1-4-22(3)21(35)31(7-8-32(22)13(2)34)17-9-14(5-6-15(17)11-27)18-10-16(23(24,25)26)19-20(28)29-12-30-33(18)19/h5-6,9-10,12H,4,7-8H2,1-3H3,(H2,28,29,30)/t22-/m0/s1 | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358627
(4-(4-amino-5-(trifluoromethyl)pyrrolo [2,1-f][1,2,...)Show SMILES CC1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-32-20(2,3)19(31)29(11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28) | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245571
(CHEMBL4091875)Show SMILES C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-11-12(2)33-21(3,4)20(32)30(11)16-7-13(5-6-14(16)9-26)17-8-15(22(23,24)25)18-19(27)28-10-29-31(17)18/h5-8,10-12H,1-4H3,(H2,27,28,29)/t11-,12+/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 | <0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077 BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358735
(4-acetyl-1-(5-(4-amino-5- (trifluoromethyl)pyrrolo...)Show SMILES COCc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C23H25F3N6O3/c1-13(33)31-8-7-30(21(34)22(31,2)3)17-9-14(5-6-15(17)11-35-4)18-10-16(23(24,25)26)19-20(27)28-12-29-32(18)19/h5-6,9-10,12H,7-8,11H2,1-4H3,(H2,27,28,29) | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358679
(N-(2-(4-(5-(4-amino-5-chloropyrrolo [2,1-f][1,2,4]...)Show SMILES CC(=O)NCC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C22H23ClFN7O3/c1-12(32)26-10-18(33)30-7-6-29(21(34)22(30,2)3)17-8-13(4-5-15(17)24)16-9-14(23)19-20(25)27-11-28-31(16)19/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,26,32)(H2,25,27,28) | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358684
(1-(3-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triazi...)Show SMILES CC(C)(O)CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C23H27ClN6O3/c1-22(2,33)12-18(31)29-9-8-28(21(32)23(29,3)4)15-7-5-6-14(10-15)17-11-16(24)19-20(25)26-13-27-30(17)19/h5-7,10-11,13,33H,8-9,12H2,1-4H3,(H2,25,26,27) | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358690
(N-(2-(4-(5-(4-amino-5- (trifluoromethyl)pyrrolo[2,...)Show SMILES CC1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(=O)CNS(C)(=O)=O Show InChI InChI=1S/C23H23F3N8O4S/c1-22(2)21(36)32(6-7-33(22)18(35)11-31-39(3,37)38)16-8-13(4-5-14(16)10-27)17-9-15(23(24,25)26)19-20(28)29-12-30-34(17)19/h4-5,8-9,12,31H,6-7,11H2,1-3H3,(H2,28,29,30) | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358691
((S)-1-(5-(4-amino-5-chloropyrrolo [2,1-f][1,2,4]tr...)Show SMILES C[C@H]1CN(C(=O)CS(C)(=O)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C22H24ClFN6O4S/c1-12-9-28(18(31)10-35(4,33)34)22(2,3)21(32)29(12)17-7-13(5-6-15(17)24)16-8-14(23)19-20(25)26-11-27-30(16)19/h5-8,11-12H,9-10H2,1-4H3,(H2,25,26,27)/t12-/m0/s1 | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358637
(4-(4-amino-5-(1-(2,2,2-trifluoroethyl)- 1H-pyrazol...)Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r| Show InChI InChI=1S/C26H25F3N8O2/c1-14-15(2)39-25(3,4)24(38)36(14)20-9-16(5-6-17(20)11-30)21-10-18(22-23(31)32-13-34-37(21)22)19-7-8-33-35(19)12-26(27,28)29/h5-10,13-15H,12H2,1-4H3,(H2,31,32,34)/t14-,15-/m0/s1 | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358652
((R)-4-(4-amino-5-(trifluoromethyl) pyrrolo[2,1-f][...)Show SMILES C[C@@H]1COC(C)(C)C(=O)N1c1cc(ccc1C(N)=O)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N6O3/c1-10-8-33-20(2,3)19(32)29(10)15-6-11(4-5-12(15)18(26)31)14-7-13(21(22,23)24)16-17(25)27-9-28-30(14)16/h4-7,9-10H,8H2,1-3H3,(H2,26,31)(H2,25,27,28)/t10-/m1/s1 | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358600
((S)-4-acetyl-1-(5-(4-amino-5- (trifluoromethyl)pyr...)Show SMILES C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H22F4N6O2/c1-11-9-30(12(2)33)21(3,4)20(34)31(11)17-7-13(5-6-15(17)23)16-8-14(22(24,25)26)18-19(27)28-10-29-32(16)18/h5-8,10-11H,9H2,1-4H3,(H2,27,28,29)/t11-/m0/s1 | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358607
((S)-4-acetyl-1-(5-(4-amino-5-(1- cyclopropyl-1H-py...)Show SMILES C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(-c2cnn(c2)C2CC2)c2c(N)ncnn12 |r| Show InChI InChI=1S/C27H29FN8O2/c1-15-12-33(16(2)37)27(3,4)26(38)35(15)23-9-17(5-8-21(23)28)22-10-20(24-25(29)30-14-32-36(22)24)18-11-31-34(13-18)19-6-7-19/h5,8-11,13-15,19H,6-7,12H2,1-4H3,(H2,29,30,32)/t15-/m0/s1 | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358609
(2-(4-acetyl-3-ethyl-3-methyl-2- oxopiperazin-1-yl)...)Show SMILES CCC1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(C)=O Show InChI InChI=1S/C23H22F3N7O2/c1-4-22(3)21(35)31(7-8-32(22)13(2)34)17-9-14(5-6-15(17)11-27)18-10-16(23(24,25)26)19-20(28)29-12-30-33(18)19/h5-6,9-10,12H,4,7-8H2,1-3H3,(H2,28,29,30) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50232433
(CHEMBL4068514 | US10214537, Example 619)Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay |
Bioorg Med Chem Lett 27: 855-861 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.016 BindingDB Entry DOI: 10.7270/Q2BR8VFH |
More data for this Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM13320
(1-Methyl-1H-imidazole-4-sulfonic Acid [6-Cyano-1-(...)Show SMILES CC(=C)CN(C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N)S(=O)(=O)c1cn(C)cn1 Show InChI InChI=1S/C23H27N7O2S/c1-17(2)11-30(33(31,32)23-14-27(3)16-26-23)20-8-19-7-18(9-24)5-6-22(19)29(12-20)13-21-10-25-15-28(21)4/h5-7,10,14-16,20H,1,8,11-13H2,2-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human farnesyltransferase |
Bioorg Med Chem Lett 15: 1895-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.004 BindingDB Entry DOI: 10.7270/Q2RB75CJ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358664
(N-(3-(4-(5-(4-amino-5-chloropyrrolo [2,1-f][1,2,4]...)Show SMILES CC(=O)NCCC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C24H25ClN8O3/c1-14(34)28-7-6-20(35)32-9-8-31(23(36)24(32,2)3)18-10-15(4-5-16(18)12-26)19-11-17(25)21-22(27)29-13-30-33(19)21/h4-5,10-11,13H,6-9H2,1-3H3,(H,28,34)(H2,27,29,30) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245582
(CHEMBL4080090)Show SMILES CC[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-4-14-10-27(20(29)21(2,3)30-14)16-7-12(5-6-13(16)9-23)17-8-15(22)18-19(24)25-11-26-28(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,24,25,26)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077 BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245550
(CHEMBL4096456)Show SMILES C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-11-12(2)30-21(3,4)20(29)27(11)16-7-13(5-6-14(16)9-23)17-8-15(22)18-19(24)25-10-26-28(17)18/h5-8,10-12H,1-4H3,(H2,24,25,26)/t11-,12+/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 | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077 BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358638
(4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triazin-7...)Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-11-12(2)30-21(3,4)20(29)27(11)16-7-13(5-6-14(16)9-23)17-8-15(22)18-19(24)25-10-26-28(17)18/h5-8,10-12H,1-4H3,(H2,24,25,26)/t11-,12-/m0/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 | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077 BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358628
(4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triazin-7...)Show SMILES CC1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-29-20(2,3)19(28)26(11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077 BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245561
(CHEMBL4069213)Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-11-12(2)30-21(3,4)20(29)27(11)16-7-13(5-6-14(16)9-23)17-8-15(22)18-19(24)25-10-26-28(17)18/h5-8,10-12H,1-4H3,(H2,24,25,26)/t11-,12+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077 BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50048982
((R)-2-({(R)-2-[(R)-2-((S)-2-Amino-3-mercapto-propi...)Show SMILES CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C[C@H](NC(=O)[C@H](N)CS)C(C)C)C(O)=O Show InChI InChI=1S/C23H36N4O4S2/c1-14(2)19(26-21(28)17(24)13-32)12-27-11-16-7-5-4-6-15(16)10-20(27)22(29)25-18(23(30)31)8-9-33-3/h4-7,14,17-20,32H,8-13,24H2,1-3H3,(H,25,29)(H,26,28)(H,30,31)/t17-,18-,19+,20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Farnesyltransferase |
J Med Chem 39: 224-36 (1996)
Article DOI: 10.1021/jm950642a BindingDB Entry DOI: 10.7270/Q2610ZDS |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358605
((S)-7-(3-(4-acetyl-3,3,6-trimethyl-2- oxopiperazin...)Show SMILES C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(C#N)c2c(N)ncnn12 |r| Show InChI InChI=1S/C22H22FN7O2/c1-12-10-28(13(2)31)22(3,4)21(32)29(12)18-7-14(5-6-16(18)23)17-8-15(9-24)19-20(25)26-11-27-30(17)19/h5-8,11-12H,10H2,1-4H3,(H2,25,26,27)/t12-/m0/s1 | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358669
(1-(3-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triazi...)Show SMILES CC1(C)N(CCN(C1=O)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12)C(=O)CN1CCCC1=O Show InChI InChI=1S/C24H26ClN7O3/c1-24(2)23(35)30(9-10-31(24)20(34)13-29-8-4-7-19(29)33)16-6-3-5-15(11-16)18-12-17(25)21-22(26)27-14-28-32(18)21/h3,5-6,11-12,14H,4,7-10,13H2,1-2H3,(H2,26,27,28) | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358159
(1-((cis)-4-(3-(4-amino-5-(1-(tetrahydro-2H-pyran-4...)Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cc(C)cc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O Show InChI InChI=1S/C28H35N9O2/c1-17-9-21(11-23(10-17)35-18(2)14-34(20(4)38)15-19(35)3)25-12-24(27-28(29)30-16-32-37(25)27)26-13-31-33-36(26)22-5-7-39-8-6-22/h9-13,16,18-19,22H,5-8,14-15H2,1-4H3,(H2,29,30,32)/t18-,19+ | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358188
(1-(4-(3-(4-amino-5-(1-(tetrahydro-2H- pyran-4-yl)-...)Show SMILES CC(=O)N1CCN(C(C1)c1cccnc1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12 Show InChI InChI=1S/C30H32N10O2/c1-20(41)37-10-11-38(28(18-37)22-5-3-9-32-16-22)24-6-2-4-21(14-24)26-15-25(29-30(31)33-19-35-40(26)29)27-17-34-36-39(27)23-7-12-42-13-8-23/h2-6,9,14-17,19,23,28H,7-8,10-13,18H2,1H3,(H2,31,33,35) | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM284822
(1-((cis)-4-(5-(4-amino-5-(1-(tetrahydro-2H-pyran-4...)Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cncc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O |r| Show InChI InChI=1S/C26H32N10O2/c1-16-13-33(18(3)37)14-17(2)34(16)21-8-19(10-28-11-21)23-9-22(25-26(27)29-15-31-36(23)25)24-12-30-32-35(24)20-4-6-38-7-5-20/h8-12,15-17,20H,4-7,13-14H2,1-3H3,(H2,27,29,31)/t16-,17+ | 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 | 0.400 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10023576 (2018)
BindingDB Entry DOI: 10.7270/Q2FQ9ZND |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358653
((S)-4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triaz...)Show SMILES CC[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-4-14-10-30-21(2,3)20(29)27(14)16-7-12(5-6-13(16)9-23)17-8-15(22)18-19(24)25-11-26-28(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,24,25,26)/t14-/m0/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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077 BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245562
(CHEMBL4097187)Show SMILES [2H]C1([2H])OC(C)(C)C(=O)N(c2cc(ccc2C#N)-c2cc(Cl)c3c(N)ncnn23)C1([2H])[2H] Show InChI InChI=1S/C19H17ClN6O2/c1-19(2)18(27)25(5-6-28-19)14-7-11(3-4-12(14)9-21)15-8-13(20)16-17(22)23-10-24-26(15)16/h3-4,7-8,10H,5-6H2,1-2H3,(H2,22,23,24) | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077 BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358657
((S)-4-(4-amino-5-(trifluoromethyl) pyrrolo[2,1-f][...)Show SMILES CC[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-4-14-10-33-21(2,3)20(32)30(14)16-7-12(5-6-13(16)9-26)17-8-15(22(23,24)25)18-19(27)28-11-29-31(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,27,28,29)/t14-/m0/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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077 BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358027
(4-(3-(3-(4-amino-5-(1-(tetrahydro-2H- pyran-4-yl)-...)Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(COC1)C1CCS(=O)(=O)CC1 Show InChI InChI=1S/C28H32N6O4S/c29-27-26-23(24-4-9-31-33(24)22-5-10-37-11-6-22)15-25(34(26)32-18-30-27)19-2-1-3-21(14-19)28(16-38-17-28)20-7-12-39(35,36)13-8-20/h1-4,9,14-15,18,20,22H,5-8,10-13,16-17H2,(H2,29,30,32) | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358687
(4-(4-amino-5-(trifluoromethyl)pyrrolo [2,1-f][1,2,...)Show SMILES CC1(C)CN(CC(=O)N2CCN(C(=O)C2(C)C)c2cc(ccc2C#N)-c2cc(c3c(N)ncnn23)C(F)(F)F)C(=O)C1 Show InChI InChI=1S/C28H29F3N8O3/c1-26(2)11-21(40)36(14-26)13-22(41)38-8-7-37(25(42)27(38,3)4)19-9-16(5-6-17(19)12-32)20-10-18(28(29,30)31)23-24(33)34-15-35-39(20)23/h5-6,9-10,15H,7-8,11,13-14H2,1-4H3,(H2,33,34,35) | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358694
(N-(4-(4-(5-(4-amino-5-chloropyrrolo [2,1-f][1,2,4]...)Show SMILES CC1(C)N(CCN(C1=O)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12)C(=O)CNS(C)(=O)=O Show InChI InChI=1S/C21H23ClFN7O4S/c1-21(2)20(32)28(6-7-29(21)17(31)10-27-35(3,33)34)16-8-12(4-5-14(16)23)15-9-13(22)18-19(24)25-11-26-30(15)18/h4-5,8-9,11,27H,6-7,10H2,1-3H3,(H2,24,25,26) | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358653
((S)-4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triaz...)Show SMILES CC[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-4-14-10-30-21(2,3)20(29)27(14)16-7-12(5-6-13(16)9-23)17-8-15(22)18-19(24)25-11-26-28(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,24,25,26)/t14-/m0/s1 | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358657
((S)-4-(4-amino-5-(trifluoromethyl) pyrrolo[2,1-f][...)Show SMILES CC[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-4-14-10-33-21(2,3)20(32)30(14)16-7-12(5-6-13(16)9-26)17-8-15(22(23,24)25)18-19(27)28-11-29-31(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,27,28,29)/t14-/m0/s1 | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358666
(4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triazin-7...)Show SMILES CC1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12)C(=O)CN1CCCCS1(=O)=O Show InChI InChI=1S/C25H27ClN8O4S/c1-25(2)24(36)32(8-9-33(25)21(35)14-31-7-3-4-10-39(31,37)38)19-11-16(5-6-17(19)13-27)20-12-18(26)22-23(28)29-15-30-34(20)22/h5-6,11-12,15H,3-4,7-10,14H2,1-2H3,(H2,28,29,30) | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358363
(4-acetyl-1-(5-{4-amino-5-[1-(propane- 2-sulfonyl)-...)Show SMILES CC(C)S(=O)(=O)n1cc(cn1)-c1cc(-c2ccc(F)c(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12 Show InChI InChI=1S/C26H29FN8O4S/c1-15(2)40(38,39)34-13-18(12-30-34)19-11-21(35-23(19)24(28)29-14-31-35)17-6-7-20(27)22(10-17)32-8-9-33(16(3)36)26(4,5)25(32)37/h6-7,10-15H,8-9H2,1-5H3,(H2,28,29,31) | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr... |
US Patent US10214537 (2019)
BindingDB Entry DOI: 10.7270/Q2HH6NB2 |
More data for this Ligand-Target Pair | |
Dimer of Protein farnesyltransferase subunit beta
(Homo sapiens (Human)) | BDBM50048970
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)Show SMILES CC(C)(C)[C@H](NC[C@@H](N)CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCS(C)(=O)=O)C(O)=O Show InChI InChI=1S/C24H38N4O6S2/c1-24(2,3)20(26-12-17(25)14-35)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-36(4,33)34/h5-8,17-20,26,35H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Farnesyltransferase |
J Med Chem 39: 224-36 (1996)
Article DOI: 10.1021/jm950642a BindingDB Entry DOI: 10.7270/Q2610ZDS |
More data for this Ligand-Target Pair | |