Compile Data Set for Download or QSAR

Found 663 hits with Last Name = 'bull' 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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433530 (CHEMBL2381382) Show SMILES CC(C)n1nc(N)nc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CCO)c2)s1 Show InChI InChI=1S/C21H23N7O2S/c1-12(2)28-19(25-21(22)26-28)20-24-18-15-4-3-13(14-10-23-27(11-14)6-7-29)9-16(15)30-8-5-17(18)31-20/h3-4,9-12,29H,5-8H2,1-2H3,(H2,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433533 (CHEMBL2381376) Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CCN)c2)s1 Show InChI InChI=1S/C21H23N7OS/c1-13(2)28-20(23-12-25-28)21-26-19-16-4-3-14(15-10-24-27(11-15)7-6-22)9-17(16)29-8-5-18(19)30-21/h3-4,9-13H,5-8,22H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433534 (CHEMBL2381375) Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CS(C)(=O)=O)c2)s1 Show InChI InChI=1S/C21H22N6O3S2/c1-13(2)27-20(22-11-24-27)21-25-19-16-5-4-14(8-17(16)30-7-6-18(19)31-21)15-9-23-26(10-15)12-32(3,28)29/h4-5,8-11,13H,6-7,12H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50434787 (CHEMBL2386635 | US10487083, Example C | US10703751...) Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:18.21,wD:15.17,1.1,(49.07,-5.95,;48.31,-7.29,;46.77,-7.3,;49.09,-8.62,;48.48,-10.02,;49.62,-11.04,;49.62,-12.58,;50.95,-13.35,;52.28,-12.58,;53.75,-13.05,;54.65,-11.81,;53.75,-10.56,;52.28,-11.04,;50.94,-10.26,;50.61,-8.77,;51.68,-7.66,;53.17,-8.05,;54.24,-6.95,;53.83,-5.47,;54.9,-4.37,;56.39,-4.75,;57.88,-5.12,;52.34,-5.09,;51.26,-6.19,)| Show InChI InChI=1S/C18H21N5O/c1-11(24)18-22-15-10-21-17-14(7-9-20-17)16(15)23(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,24H,2-6H2,1H3,(H,20,21)/t11-,12-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP				J Med Chem 56: 4764-85 (2013) Article DOI: 10.1021/jm4004895 BindingDB Entry DOI: 10.7270/Q2CV4K40
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433532 (CHEMBL2381377) Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(c2)C(C)(C)C(N)=O)s1 Show InChI InChI=1S/C23H25N7O2S/c1-13(2)30-20(25-12-27-30)21-28-19-16-6-5-14(9-17(16)32-8-7-18(19)33-21)15-10-26-29(11-15)23(3,4)22(24)31/h5-6,9-13H,7-8H2,1-4H3,(H2,24,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434810 (CHEMBL2386970) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C1CN(CCO)C1 Show InChI InChI=1S/C25H30N8O2/c1-16(2)33-25(27-17(3)29-33)22-15-31-7-9-35-23-10-18(4-5-21(23)24(31)28-22)19-11-26-32(12-19)20-13-30(14-20)6-8-34/h4-5,10-12,15-16,20,34H,6-9,13-14H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50434806 (2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin)				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433529 (CHEMBL2381380) Show SMILES CC(C)n1nc(N)nc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CC(C)(C)O)c2)s1 Show InChI InChI=1S/C23H27N7O2S/c1-13(2)30-20(27-22(24)28-30)21-26-19-16-6-5-14(9-17(16)32-8-7-18(19)33-21)15-10-25-29(11-15)12-23(3,4)31/h5-6,9-11,13,31H,7-8,12H2,1-4H3,(H2,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434807 (CHEMBL2387079) Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(CC(C)(C)O)c1 Show InChI InChI=1S/C23H27N7O2/c1-15(2)30-22(24-14-26-30)19-12-28-7-8-32-20-9-16(5-6-18(20)21(28)27-19)17-10-25-29(11-17)13-23(3,4)31/h5-6,9-12,14-15,31H,7-8,13H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433527 (CHEMBL2381379) Show SMILES CC(C)(O)Cn1cc(cn1)-c1ccc2-c3nc(sc3CCOc2c1)-c1ncnn1CC(F)(F)F Show InChI InChI=1S/C22H21F3N6O2S/c1-21(2,32)10-30-9-14(8-27-30)13-3-4-15-16(7-13)33-6-5-17-18(15)29-20(34-17)19-26-12-28-31(19)11-22(23,24)25/h3-4,7-9,12,32H,5-6,10-11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433535 (CHEMBL2381374) Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CC(C)(C)O)c2)s1 Show InChI InChI=1S/C23H26N6O2S/c1-14(2)29-21(24-13-26-29)22-27-20-17-6-5-15(9-18(17)31-8-7-19(20)32-22)16-10-25-28(11-16)12-23(3,4)30/h5-6,9-11,13-14,30H,7-8,12H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434812 (CHEMBL2387086) Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(CCO)c1 Show InChI InChI=1S/C21H23N7O2/c1-14(2)28-21(22-13-24-28)18-12-26-6-8-30-19-9-15(3-4-17(19)20(26)25-18)16-10-23-27(11-16)5-7-29/h3-4,9-14,29H,5-8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433531 (CHEMBL2381378) Show SMILES CC(C)n1nc(C)nc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CCO)c2)s1 Show InChI InChI=1S/C22H24N6O2S/c1-13(2)28-21(24-14(3)26-28)22-25-20-17-5-4-15(16-11-23-27(12-16)7-8-29)10-18(17)30-9-6-19(20)31-22/h4-5,10-13,29H,6-9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433528 (CHEMBL2381381) Show SMILES CC(C)n1c(n[nH]c1=O)-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CC(C)(C)O)c2)s1 Show InChI InChI=1S/C23H26N6O3S/c1-13(2)29-20(26-27-22(29)30)21-25-19-16-6-5-14(9-17(16)32-8-7-18(19)33-21)15-10-24-28(11-15)12-23(3,4)31/h5-6,9-11,13,31H,7-8,12H2,1-4H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK3 kinase domain using FITC-KGGEEEEYFELVKK as substrate by peptide mobility shift assay				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433536 (CHEMBL2381373) Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CCO)c2)s1 Show InChI InChI=1S/C21H22N6O2S/c1-13(2)27-20(22-12-24-27)21-25-19-16-4-3-14(15-10-23-26(11-15)6-7-28)9-17(16)29-8-5-18(19)30-21/h3-4,9-13,28H,5-8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434814 (CHEMBL2387082) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C21H23N7O/c1-13(2)28-21(23-14(3)25-28)18-12-27-7-8-29-19-9-15(16-10-22-26(4)11-16)5-6-17(19)20(27)24-18/h5-6,9-13H,7-8H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434806 (2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50391993 (CHEMBL2152297) Show SMILES C[C@@H]1CCN(C[C@@H]1n1cnc2cnc3[nH]ccc3c12)C(=O)CC#N |r| Show InChI InChI=1S/C17H18N6O/c1-11-4-7-22(15(24)2-5-18)9-14(11)23-10-21-13-8-20-17-12(16(13)23)3-6-19-17/h3,6,8,10-11,14H,2,4,7,9H2,1H3,(H,19,20)/t11-,14+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK2				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434808 (CHEMBL2386972) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(CCN2CCOCC2)c1 Show InChI InChI=1S/C26H32N8O2/c1-18(2)34-26(28-19(3)30-34)23-17-32-10-13-36-24-14-20(4-5-22(24)25(32)29-23)21-15-27-33(16-21)7-6-31-8-11-35-12-9-31/h4-5,14-18H,6-13H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50434786 (CHEMBL2386636) Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1 |r,wU:18.21,wD:15.17,1.1,(64.55,-7.04,;63.79,-8.38,;62.25,-8.39,;64.57,-9.71,;63.96,-11.11,;65.11,-12.13,;65.11,-13.67,;66.43,-14.44,;67.77,-13.67,;69.24,-14.14,;70.14,-12.89,;69.23,-11.65,;67.77,-12.13,;66.42,-11.35,;66.1,-9.86,;67.17,-8.75,;68.66,-9.14,;69.73,-8.04,;69.32,-6.55,;70.39,-5.46,;71.88,-5.84,;72.96,-4.73,;74.03,-3.63,;67.82,-6.17,;66.74,-7.28,)| Show InChI InChI=1S/C19H23N5O/c1-12(25)19-23-16-11-22-18-15(8-10-21-18)17(16)24(19)14-6-4-13(5-7-14)3-2-9-20/h8,10-14,25H,2-7H2,1H3,(H,21,22)/t12-,13-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP				J Med Chem 56: 4764-85 (2013) Article DOI: 10.1021/jm4004895 BindingDB Entry DOI: 10.7270/Q2CV4K40
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434817 (CHEMBL2387081) Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H19N7O/c1-12(2)26-19(20-11-23-26)16-10-25-5-6-27-17-7-13(14-8-21-22-9-14)3-4-15(17)18(25)24-16/h3-4,7-12H,5-6H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434809 (CHEMBL2386971) Show SMILES C[C@H](O)C(=O)N1CC(C1)n1cc(cn1)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C |r| Show InChI InChI=1S/C26H30N8O3/c1-15(2)34-25(28-17(4)30-34)22-14-31-7-8-37-23-9-18(5-6-21(23)24(31)29-22)19-10-27-33(11-19)20-12-32(13-20)26(36)16(3)35/h5-6,9-11,14-16,20,35H,7-8,12-13H2,1-4H3/t16-/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	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50391996 (CHEMBL2152300) Show SMILES O=C(CC#N)N1CCC[C@H](C1)n1cnc2cnc3[nH]ccc3c12 |r| Show InChI InChI=1S/C16H16N6O/c17-5-3-14(23)21-7-1-2-11(9-21)22-10-20-13-8-19-16-12(15(13)22)4-6-18-16/h4,6,8,10-11H,1-3,7,9H2,(H,18,19)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 23: 3592-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.018 BindingDB Entry DOI: 10.7270/Q2GH9KB2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using Leu-Pro-Leu-Asp-Lys-Asp-Tyr-Tyr-Val-Val-Arg as substrate after 30 mins in presence of ATP				J Med Chem 56: 4764-85 (2013) Article DOI: 10.1021/jm4004895 BindingDB Entry DOI: 10.7270/Q2CV4K40
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50391996 (CHEMBL2152300) Show SMILES O=C(CC#N)N1CCC[C@H](C1)n1cnc2cnc3[nH]ccc3c12 |r| Show InChI InChI=1S/C16H16N6O/c17-5-3-14(23)21-7-1-2-11(9-21)22-10-20-13-8-19-16-12(15(13)22)4-6-18-16/h4,6,8,10-11H,1-3,7,9H2,(H,18,19)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK3				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434813 (CHEMBL2387083) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(CCO)c1 Show InChI InChI=1S/C22H25N7O2/c1-14(2)29-22(24-15(3)26-29)19-13-27-7-9-31-20-10-16(4-5-18(20)21(27)25-19)17-11-23-28(12-17)6-8-30/h4-5,10-14,30H,6-9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433537 (CHEMBL2381279) Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C2CN(C2)C(C)(C)C(N)=O)s1 Show InChI InChI=1S/C23H28N6O2S/c1-13(2)29-20(25-12-26-29)21-27-19-16-6-5-14(9-17(16)31-8-7-18(19)32-21)15-10-28(11-15)23(3,4)22(24)30/h5-6,9,12-13,15H,7-8,10-11H2,1-4H3,(H2,24,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50391993 (CHEMBL2152297) Show SMILES C[C@@H]1CCN(C[C@@H]1n1cnc2cnc3[nH]ccc3c12)C(=O)CC#N |r| Show InChI InChI=1S/C17H18N6O/c1-11-4-7-22(15(24)2-5-18)9-14(11)23-10-21-13-8-20-17-12(16(13)23)3-6-19-17/h3,6,8,10-11,14H,2,4,7,9H2,1H3,(H,19,20)/t11-,14+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50433536 (CHEMBL2381373) Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CCO)c2)s1 Show InChI InChI=1S/C21H22N6O2S/c1-13(2)27-20(22-12-24-27)21-25-19-16-4-3-14(15-10-23-26(11-15)6-7-28)9-17(16)29-8-5-18(19)30-21/h3-4,9-13,28H,5-8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kgamma expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50392011 (CHEMBL2152401) Show SMILES N#CCCN1CCC(CC1)n1cnc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C16H18N6/c17-5-1-7-21-8-3-12(4-9-21)22-11-20-14-10-19-16-13(15(14)22)2-6-18-16/h2,6,10-12H,1,3-4,7-9H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433539 (CHEMBL2381277) Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C2CN(C2)C(=O)CO)s1 Show InChI InChI=1S/C21H23N5O3S/c1-12(2)26-20(22-11-23-26)21-24-19-15-4-3-13(14-8-25(9-14)18(28)10-27)7-16(15)29-6-5-17(19)30-21/h3-4,7,11-12,14,27H,5-6,8-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50433536 (CHEMBL2381373) Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CCO)c2)s1 Show InChI InChI=1S/C21H22N6O2S/c1-13(2)27-20(22-12-24-27)21-25-19-16-4-3-14(15-10-23-26(11-15)6-7-28)9-17(16)29-8-5-18(19)30-21/h3-4,9-13,28H,5-8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kdelta expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged JAK1 using 5-FAM-KKSRGDYMTMQIG as substrate by peptide mobility shift assay				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433541 (CHEMBL2381275) Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C2CN(C[C@H](O)CO)C2)s1 |r| Show InChI InChI=1S/C22H27N5O3S/c1-13(2)27-21(23-12-24-27)22-25-20-17-4-3-14(7-18(17)30-6-5-19(20)31-22)15-8-26(9-15)10-16(29)11-28/h3-4,7,12-13,15-16,28-29H,5-6,8-11H2,1-2H3/t16-/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	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP				J Med Chem 56: 4764-85 (2013) Article DOI: 10.1021/jm4004895 BindingDB Entry DOI: 10.7270/Q2CV4K40
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP				J Med Chem 56: 4764-85 (2013) Article DOI: 10.1021/jm4004895 BindingDB Entry DOI: 10.7270/Q2CV4K40
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK2				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50434793 (CHEMBL2386629) Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)(F)F |r,wU:18.24,wD:15.17,1.1,(18.07,-50.72,;17.31,-52.06,;15.77,-52.07,;18.09,-53.39,;17.47,-54.79,;18.62,-55.81,;18.62,-57.35,;19.95,-58.12,;21.28,-57.35,;22.75,-57.82,;23.65,-56.58,;22.75,-55.33,;21.28,-55.81,;19.94,-55.03,;19.61,-53.54,;20.68,-52.43,;22.17,-52.82,;23.24,-51.72,;22.83,-50.23,;21.34,-49.85,;20.26,-50.96,;23.91,-49.13,;25.4,-49.52,;26.48,-48.41,;27.97,-48.8,;26.06,-46.93,;27.56,-47.31,)| Show InChI InChI=1S/C18H22F3N5O/c1-10(27)17-25-14-8-23-16-13(6-7-22-16)15(14)26(17)12-4-2-11(3-5-12)24-9-18(19,20)21/h6-8,10-12,24,27H,2-5,9H2,1H3,(H,22,23)/t10-,11-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP				J Med Chem 56: 4764-85 (2013) Article DOI: 10.1021/jm4004895 BindingDB Entry DOI: 10.7270/Q2CV4K40
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50434782 (CHEMBL2386640) Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 |r| Show InChI InChI=1S/C16H20N4O/c1-10(21)16-19-13-9-18-15-12(7-8-17-15)14(13)20(16)11-5-3-2-4-6-11/h7-11,21H,2-6H2,1H3,(H,17,18)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP				J Med Chem 56: 4764-85 (2013) Article DOI: 10.1021/jm4004895 BindingDB Entry DOI: 10.7270/Q2CV4K40
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50434788 (CHEMBL2386634) Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@@H](CC1)C#N |r,wD:15.17,1.1,18.24,(35.43,-6.61,;34.67,-7.94,;33.13,-7.96,;35.45,-9.27,;34.84,-10.67,;35.99,-11.69,;35.99,-13.23,;37.32,-14,;38.65,-13.23,;40.12,-13.7,;41.02,-12.46,;40.12,-11.21,;38.65,-11.69,;37.31,-10.92,;36.98,-9.42,;38.05,-8.32,;37.62,-6.84,;38.7,-5.74,;40.2,-6.12,;40.61,-7.6,;39.54,-8.7,;41.27,-5.02,;42.35,-3.92,)| Show InChI InChI=1S/C17H19N5O/c1-10(23)17-21-14-9-20-16-13(6-7-19-16)15(14)22(17)12-4-2-11(8-18)3-5-12/h6-7,9-12,23H,2-5H2,1H3,(H,19,20)/t10-,11-,12+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP				J Med Chem 56: 4764-85 (2013) Article DOI: 10.1021/jm4004895 BindingDB Entry DOI: 10.7270/Q2CV4K40
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433540 (CHEMBL2381276) Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C2CN(CC(C)(C)O)C2)s1 Show InChI InChI=1S/C23H29N5O2S/c1-14(2)28-21(24-13-25-28)22-26-20-17-6-5-15(9-18(17)30-8-7-19(20)31-22)16-10-27(11-16)12-23(3,4)29/h5-6,9,13-14,16,29H,7-8,10-12H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50391993 (CHEMBL2152297) Show SMILES C[C@@H]1CCN(C[C@@H]1n1cnc2cnc3[nH]ccc3c12)C(=O)CC#N |r| Show InChI InChI=1S/C17H18N6O/c1-11-4-7-22(15(24)2-5-18)9-14(11)23-10-21-13-8-20-17-12(16(13)23)3-6-19-17/h3,6,8,10-11,14H,2,4,7,9H2,1H3,(H,19,20)/t11-,14+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK3				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433538 (CHEMBL2381278) Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C2CN(C2)C(=O)C(C)(C)N)s1 Show InChI InChI=1S/C23H28N6O2S/c1-13(2)29-20(25-12-26-29)21-27-19-16-6-5-14(9-17(16)31-8-7-18(19)32-21)15-10-28(11-15)22(30)23(3,4)24/h5-6,9,12-13,15H,7-8,10-11,24H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50434806 (2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin)				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 kinase domain using FITC-KGGEEEEYFELVKK as substrate by peptide mobility shift assay				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434811 (CHEMBL2387087) Show SMILES OCCn1cc(cn1)-c1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F Show InChI InChI=1S/C20H18F3N7O2/c21-20(22,23)11-30-19(24-12-26-30)16-10-28-4-6-32-17-7-13(1-2-15(17)18(28)27-16)14-8-25-29(9-14)3-5-31/h1-2,7-10,12,31H,3-6,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50434792 (CHEMBL2386630) Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)F |r,wU:18.24,wD:15.17,1.1,(31.96,-51.04,;31.2,-52.38,;29.66,-52.39,;31.98,-53.71,;31.37,-55.11,;32.51,-56.12,;32.51,-57.66,;33.84,-58.43,;35.17,-57.66,;36.64,-58.14,;37.54,-56.89,;36.64,-55.64,;35.17,-56.12,;33.83,-55.35,;33.5,-53.85,;34.57,-52.75,;36.06,-53.13,;37.13,-52.04,;36.72,-50.55,;35.23,-50.17,;34.15,-51.28,;37.8,-49.45,;39.29,-49.83,;40.37,-48.73,;41.86,-49.11,;39.95,-47.25,)| Show InChI InChI=1S/C18H23F2N5O/c1-10(26)18-24-14-8-23-17-13(6-7-21-17)16(14)25(18)12-4-2-11(3-5-12)22-9-15(19)20/h6-8,10-12,15,22,26H,2-5,9H2,1H3,(H,21,23)/t10-,11-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP				J Med Chem 56: 4764-85 (2013) Article DOI: 10.1021/jm4004895 BindingDB Entry DOI: 10.7270/Q2CV4K40
					More data for this Ligand-Target Pair

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