Compile Data Set for Download or QSAR

Found 824 hits Enz. Inhib. hit(s) with all data for entry = 2230   

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
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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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
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))	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))	BDBM358623 ((R)-4-(3-(4-amino-5-(1-(2,2,2- trifluoroethyl)-1H-...) Show SMILES C[C@@H]1COC(C)(C)C(=O)N1c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r| Show InChI InChI=1S/C24H24F3N7O2/c1-14-11-36-23(2,3)22(35)33(14)16-6-4-5-15(9-16)19-10-17(20-21(28)29-13-31-34(19)20)18-7-8-30-32(18)12-24(25,26)27/h4-10,13-14H,11-12H2,1-3H3,(H2,28,29,31)/t14-/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	0.5	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))	BDBM358611 ((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(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-/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	0.5	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))	BDBM358358 (4-acetyl-1-{3-[4-amino-5-(1- methanesulfonyl-1H-py...) Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(c2)S(C)(=O)=O)c2c(N)ncnn12 Show InChI InChI=1S/C24H26N8O4S/c1-15(33)30-9-8-29(23(34)24(30,2)3)18-7-5-6-16(10-18)20-11-19(21-22(25)26-14-28-32(20)21)17-12-27-31(13-17)37(4,35)36/h5-7,10-14H,8-9H2,1-4H3,(H2,25,26,28)	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	0.5	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	US Patent	n/a	n/a	0.5	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))	BDBM50232438 (CHEMBL4100063 | US10214537, Example 256) Show SMILES CC(=O)N1CCN(C(C1)c1cccnc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 Show InChI InChI=1S/C31H33N9O2/c1-21(41)37-12-13-38(29(19-37)23-5-3-10-33-18-23)25-6-2-4-22(16-25)28-17-26(30-31(32)34-20-36-40(28)30)27-7-11-35-39(27)24-8-14-42-15-9-24/h2-7,10-11,16-18,20,24,29H,8-9,12-15,19H2,1H3,(H2,32,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	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))	BDBM358739 ((S)-4-acetyl-1-(5-(4-amino-5- chloropyrrolo[2,1-f]...) Show SMILES CC[C@H](O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C23H27ClN6O3/c1-5-19(32)15-7-6-14(17-11-16(24)20-21(25)26-12-27-30(17)20)10-18(15)28-8-9-29(13(2)31)23(3,4)22(28)33/h6-7,10-12,19,32H,5,8-9H2,1-4H3,(H2,25,26,27)/t19-/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	0.5	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))	BDBM358072 (((2S,4R)-2-(3-(4-Amino-5-(1-(tetrahydro-2H-pyran-4...) Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)[C@@H]1C[C@@H](O)CN1C(=O)C1CC1 |r| Show InChI InChI=1S/C28H31N7O3/c29-27-26-22(23-6-9-31-34(23)20-7-10-38-11-8-20)14-25(35(26)32-16-30-27)19-3-1-2-18(12-19)24-13-21(36)15-33(24)28(37)17-4-5-17/h1-3,6,9,12,14,16-17,20-21,24,36H,4-5,7-8,10-11,13,15H2,(H2,29,30,32)/t21-,24+/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	0.5	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))	BDBM358714 (2-(4-acetyl-3,3-dimethyl-2- oxopiperazin-1-yl)-4-(...) Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(=O)NCC#N)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C24H23F3N8O3/c1-13(36)34-9-8-33(22(38)23(34,2)3)18-10-14(4-5-15(18)21(37)30-7-6-28)17-11-16(24(25,26)27)19-20(29)31-12-32-35(17)19/h4-5,10-12H,7-9H2,1-3H3,(H,30,37)(H2,29,31,32)	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	0.5	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))	BDBM358685 ((S)-4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triaz...) Show SMILES C[C@H]1CN(C(=O)CS(C)(=O)=O)C(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C23H24ClN7O4S/c1-13-10-29(19(32)11-36(4,34)35)23(2,3)22(33)30(13)17-7-14(5-6-15(17)9-25)18-8-16(24)20-21(26)27-12-28-31(18)20/h5-8,12-13H,10-11H2,1-4H3,(H2,26,27,28)/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	0.5	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))	BDBM358676 (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(ccc1F)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C23H25ClFN7O3/c1-13(33)27-7-6-19(34)31-9-8-30(22(35)23(31,2)3)18-10-14(4-5-16(18)25)17-11-15(24)20-21(26)28-12-29-32(17)20/h4-5,10-12H,6-9H2,1-3H3,(H,27,33)(H2,26,28,29)	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	0.5	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))	BDBM358674 (N-(3-(4-(5-(4-amino-5- (trifluoromethyl)pyrrolo[2,...) Show SMILES CC1(C)N(CCN(C1=O)c1cc(ccc1F)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(=O)CCNS(C)(=O)=O Show InChI InChI=1S/C23H25F4N7O4S/c1-22(2)21(36)32(8-9-33(22)18(35)6-7-31-39(3,37)38)17-10-13(4-5-15(17)24)16-11-14(23(25,26)27)19-20(28)29-12-30-34(16)19/h4-5,10-12,31H,6-9H2,1-3H3,(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	0.5	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))	BDBM358663 (3-(2-(4-(3-(4-amino-5-chloropyrrolo [2,1-f][1,2,4]...) Show SMILES CC1(C)N(CCN(C1=O)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12)C(=O)CN1CCOC1=O Show InChI InChI=1S/C23H24ClN7O4/c1-23(2)21(33)29(6-7-30(23)18(32)12-28-8-9-35-22(28)34)15-5-3-4-14(10-15)17-11-16(24)19-20(25)26-13-27-31(17)19/h3-5,10-11,13H,6-9,12H2,1-2H3,(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	0.5	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	0.600	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))	BDBM358675 (1-(5-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triazi...) Show SMILES CC1(C)N(CCN(C1=O)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12)C(=O)CS(C)(=O)=O Show InChI InChI=1S/C21H22ClFN6O4S/c1-21(2)20(31)27(6-7-28(21)17(30)10-34(3,32)33)16-8-12(4-5-14(16)23)15-9-13(22)18-19(24)25-11-26-29(15)18/h4-5,8-9,11H,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	0.600	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))	BDBM358591 (4-acetyl-1-(3-(4-amino-5- chloropyrrolo[2,1-f][1,2...) Show SMILES CC(=O)N1CC(CO)N(C(=O)C1(C)C)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C21H23ClN6O3/c1-12(30)26-9-15(10-29)27(20(31)21(26,2)3)14-6-4-5-13(7-14)17-8-16(22)18-19(23)24-11-25-28(17)18/h4-8,11,15,29H,9-10H2,1-3H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	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))	BDBM358596 ((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(ccc1S(C)(=O)=O)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C23H25F3N6O4S/c1-12-10-30(13(2)33)22(3,4)21(34)31(12)17-8-14(6-7-18(17)37(5,35)36)16-9-15(23(24,25)26)19-20(27)28-11-29-32(16)19/h6-9,11-12H,10H2,1-5H3,(H2,27,28,29)/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	0.600	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))	BDBM358602 ((S)-4-acetyl-1-(5-(4-amino-5-(1-(2,2,2- trifluoroe...) Show SMILES C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r| Show InChI InChI=1S/C26H26F4N8O2/c1-14-11-35(15(2)39)25(3,4)24(40)37(14)21-9-16(5-6-18(21)27)20-10-17(22-23(31)32-13-34-38(20)22)19-7-8-33-36(19)12-26(28,29)30/h5-10,13-14H,11-12H2,1-4H3,(H2,31,32,34)/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	0.600	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))	BDBM358673 (N-(3-(4-(3-(4-amino-5-cyanopyrrolo [2,1-f][1,2,4]t...) Show SMILES CC1(C)N(CCN(C1=O)c1cccc(c1)-c1cc(C#N)c2c(N)ncnn12)C(=O)CCNS(C)(=O)=O Show InChI InChI=1S/C23H26N8O4S/c1-23(2)22(33)29(9-10-30(23)19(32)7-8-28-36(3,34)35)17-6-4-5-15(11-17)18-12-16(13-24)20-21(25)26-14-27-31(18)20/h4-6,11-12,14,28H,7-10H2,1-3H3,(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	0.600	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))	BDBM358689 (1-(5-(4-amino-5-(trifluoromethyl) pyrrolo[2,1-f][1...) Show SMILES COc1ccc(cc1N1CCN(C(=O)C(C)S(C)(=O)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C24H27F3N6O5S/c1-13(39(5,36)37)21(34)32-9-8-31(22(35)23(32,2)3)17-10-14(6-7-18(17)38-4)16-11-15(24(25,26)27)19-20(28)29-12-30-33(16)19/h6-7,10-13H,8-9H2,1-5H3,(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	0.700	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))	BDBM358754 (4-acetyl-1-(3-(4-amino-5-chloro-6- fluoropyrrolo[2...) Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(-c2c(F)c(Cl)c3c(N)ncnn23)c1F |(6.04,-5.05,;5.64,-3.56,;6.73,-2.47,;4.15,-3.16,;3.06,-4.25,;1.57,-3.85,;1.18,-2.36,;2.27,-1.27,;1.87,.21,;3.75,-1.67,;3.75,-.13,;5.24,-1.27,;-.31,-1.96,;-1.4,-3.05,;-2.89,-2.65,;-3.29,-1.17,;-2.2,-.08,;-2.6,1.41,;-1.69,2.66,;-.15,2.66,;-2.6,3.9,;-1.83,5.24,;-4.06,3.43,;-5.39,4.2,;-5.39,5.74,;-6.73,3.43,;-6.73,1.89,;-5.39,1.12,;-4.06,1.89,;-.71,-.48,;.38,.61,)| Show InChI InChI=1S/C20H19ClF2N6O2/c1-10(30)28-8-7-27(19(31)20(28,2)3)12-6-4-5-11(14(12)22)16-15(23)13(21)17-18(24)25-9-26-29(16)17/h4-6,9H,7-8H2,1-3H3,(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	0.700	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))	BDBM358665 (4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triazin-7...) Show SMILES Cc1ccn(CCC(=O)N2CCN(C(=O)C2(C)C)c2cc(ccc2C#N)-c2cc(Cl)c3c(N)ncnn23)n1 Show InChI InChI=1S/C26H26ClN9O2/c1-16-6-8-33(32-16)9-7-22(37)35-11-10-34(25(38)26(35,2)3)20-12-17(4-5-18(20)14-28)21-13-19(27)23-24(29)30-15-31-36(21)23/h4-6,8,12-13,15H,7,9-11H2,1-3H3,(H2,29,30,31)	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	0.700	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

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