Compile Data Set for Download or QSAR

Found 603 hits with Last Name = 'wang' and Initial = 'aq'   

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
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50456223 (CHEMBL4206892) Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(CC1)(C#N)c1ccccc1 Show InChI InChI=1S/C27H28FN5O3S/c1-37(35,36)33-15-13-32(14-16-33)26(34)23-18-30-24-8-7-21(28)17-22(24)25(23)31-11-9-27(19-29,10-12-31)20-5-3-2-4-6-20/h2-8,17-18H,9-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human ALDH1A1 using propionaldehyde as substrate and varied concentration of NAD+ as cofactor preincubated for 15 mins followed by subs...				J Med Chem 61: 4883-4903 (2018) Article DOI: 10.1021/acs.jmedchem.8b00270 BindingDB Entry DOI: 10.7270/Q2SB48BH
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50456222 (CHEMBL4206272) Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1-c1ccc(cc1)C1(CC1)C#N Show InChI InChI=1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human ALDH1A1 using propionaldehyde as substrate and varied concentration of NAD+ as cofactor preincubated for 15 mins followed by subs...				J Med Chem 61: 4883-4903 (2018) Article DOI: 10.1021/acs.jmedchem.8b00270 BindingDB Entry DOI: 10.7270/Q2SB48BH
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50456222 (CHEMBL4206272) Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1-c1ccc(cc1)C1(CC1)C#N Show InChI InChI=1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human ALDH1A1 using NAD+ as cofactor and varied concentration of propionaldehyde as substrate preincubated for 15 mins followed by subs...				J Med Chem 61: 4883-4903 (2018) Article DOI: 10.1021/acs.jmedchem.8b00270 BindingDB Entry DOI: 10.7270/Q2SB48BH
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50456223 (CHEMBL4206892) Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(CC1)(C#N)c1ccccc1 Show InChI InChI=1S/C27H28FN5O3S/c1-37(35,36)33-15-13-32(14-16-33)26(34)23-18-30-24-8-7-21(28)17-22(24)25(23)31-11-9-27(19-29,10-12-31)20-5-3-2-4-6-20/h2-8,17-18H,9-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human ALDH1A1 using NAD+ as cofactor and varied concentration of propionaldehyde as substrate preincubated for 15 mins followed by subs...				J Med Chem 61: 4883-4903 (2018) Article DOI: 10.1021/acs.jmedchem.8b00270 BindingDB Entry DOI: 10.7270/Q2SB48BH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50257088 (CHEMBL4066784) Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r| Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	415	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States. Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cell membranes after 90 mins by scintillation counting method				J Med Chem 60: 6364-6383 (2017) Article DOI: 10.1021/acs.jmedchem.7b00561 BindingDB Entry DOI: 10.7270/Q2DR2XXZ
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50257088 (CHEMBL4066784) Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r| Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	443	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States. Curated by ChEMBL					Assay Description Displacement of [3H]Cimetidine from human H2 receptor expressed in HEK cell membranes after 90 mins by scintillation counting method				J Med Chem 60: 6364-6383 (2017) Article DOI: 10.1021/acs.jmedchem.7b00561 BindingDB Entry DOI: 10.7270/Q2DR2XXZ
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50257088 (CHEMBL4066784) Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r| Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	575	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States. Curated by ChEMBL					Assay Description Displacement of [3H]Rauwolscine from human alpha2C receptor expressed in MDCK cell membranes after 90 mins by scintillation counting method				J Med Chem 60: 6364-6383 (2017) Article DOI: 10.1021/acs.jmedchem.7b00561 BindingDB Entry DOI: 10.7270/Q2DR2XXZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50257088 (CHEMBL4066784) Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r| Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States. Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR receptor (unknown origin) expressed in HEK cell membranes after 90 mins by scintillation counting method				J Med Chem 60: 6364-6383 (2017) Article DOI: 10.1021/acs.jmedchem.7b00561 BindingDB Entry DOI: 10.7270/Q2DR2XXZ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50257088 (CHEMBL4066784) Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r| Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States. Curated by ChEMBL					Assay Description Displacement of [3H]Nisoxetine from human NET receptor expressed in HEK cell membranes after 90 mins by scintillation counting method				J Med Chem 60: 6364-6383 (2017) Article DOI: 10.1021/acs.jmedchem.7b00561 BindingDB Entry DOI: 10.7270/Q2DR2XXZ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50257088 (CHEMBL4066784) Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r| Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States. Curated by ChEMBL					Assay Description Displacement of [3H]Rauwolscine from human alpha2A receptor expressed in MDCK cell membranes after 90 mins by scintillation counting method				J Med Chem 60: 6364-6383 (2017) Article DOI: 10.1021/acs.jmedchem.7b00561 BindingDB Entry DOI: 10.7270/Q2DR2XXZ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50257088 (CHEMBL4066784) Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r| Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States. Curated by ChEMBL					Assay Description Displacement of [3H]QNB from human M5 receptor expressed in CHO cell membranes after 90 mins by scintillation counting method				J Med Chem 60: 6364-6383 (2017) Article DOI: 10.1021/acs.jmedchem.7b00561 BindingDB Entry DOI: 10.7270/Q2DR2XXZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50257088 (CHEMBL4066784) Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r| Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States. Curated by ChEMBL					Assay Description Displacement of [3H]Pentazocine from guinea pig Sigma1 receptor after 90 mins by scintillation counting method				J Med Chem 60: 6364-6383 (2017) Article DOI: 10.1021/acs.jmedchem.7b00561 BindingDB Entry DOI: 10.7270/Q2DR2XXZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50257088 (CHEMBL4066784) Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r| Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States. Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human SERT receptor expressed in HEK cell membranes after 90 mins by scintillation counting method				J Med Chem 60: 6364-6383 (2017) Article DOI: 10.1021/acs.jmedchem.7b00561 BindingDB Entry DOI: 10.7270/Q2DR2XXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50527623 (CHEMBL4443378) Show SMILES CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H32N8O3/c1-3-22(33-26-21(17-30)18(2)32-29(31)35-26)27-34-23-15-10-12-19(11-6-4-9-16-24(38)36-40)25(23)28(39)37(27)20-13-7-5-8-14-20/h5,7-8,10,12-15,22,40H,3-4,6,9,11,16H2,1-2H3,(H,36,38)(H3,31,32,33,35)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50527619 (CHEMBL4451623) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H30N8O3/c1-2-20(33-26-24-25(30-16-29-24)31-17-32-26)27-34-21-14-9-11-18(10-5-3-8-15-22(37)35-39)23(21)28(38)36(27)19-12-6-4-7-13-19/h4,6-7,9,11-14,16-17,20,39H,2-3,5,8,10,15H2,1H3,(H,35,37)(H2,29,30,31,32,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50527624 (CHEMBL4450613) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C31H29N9O3/c1-2-23(35-27-22(17-32)26(33)37-31(34)38-27)28-36-24-10-6-7-19(14-11-18-12-15-20(16-13-18)29(41)39-43)25(24)30(42)40(28)21-8-4-3-5-9-21/h3-10,12-13,15-16,23,43H,2,11,14H2,1H3,(H,39,41)(H5,33,34,35,37,38)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50527616 (CHEMBL4464003) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CNC(=O)c3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C31H27N9O4/c1-2-22(37-27-25-26(34-16-33-25)35-17-36-27)28-38-23-10-6-7-20(24(23)31(43)40(28)21-8-4-3-5-9-21)15-32-29(41)18-11-13-19(14-12-18)30(42)39-44/h3-14,16-17,22,44H,2,15H2,1H3,(H,32,41)(H,39,42)(H2,33,34,35,36,37)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50527622 (CHEMBL4550648) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H31N9O3/c1-2-20(32-25-19(16-29)24(30)34-28(31)35-25)26-33-21-14-9-11-17(10-5-3-8-15-22(38)36-40)23(21)27(39)37(26)18-12-6-4-7-13-18/h4,6-7,9,11-14,20,40H,2-3,5,8,10,15H2,1H3,(H,36,38)(H5,30,31,32,34,35)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50527617 (CHEMBL4522666) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CNC(=O)c3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C30H26N10O4/c1-16(35-25-21(14-31)24(32)37-30(33)38-25)26-36-22-9-5-6-19(23(22)29(43)40(26)20-7-3-2-4-8-20)15-34-27(41)17-10-12-18(13-11-17)28(42)39-44/h2-13,16,44H,15H2,1H3,(H,34,41)(H,39,42)(H5,32,33,35,37,38)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50527620 (CHEMBL4563838) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(-c3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H24N8O3/c1-2-21(34-26-24-25(31-15-30-24)32-16-33-26)27-35-22-10-6-9-20(17-11-13-18(14-12-17)28(38)36-40)23(22)29(39)37(27)19-7-4-3-5-8-19/h3-16,21,40H,2H2,1H3,(H,36,38)(H2,30,31,32,33,34)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50527623 (CHEMBL4443378) Show SMILES CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H32N8O3/c1-3-22(33-26-21(17-30)18(2)32-29(31)35-26)27-34-23-15-10-12-19(11-6-4-9-16-24(38)36-40)25(23)28(39)37(27)20-13-7-5-8-14-20/h5,7-8,10,12-15,22,40H,3-4,6,9,11,16H2,1-2H3,(H,36,38)(H3,31,32,33,35)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50527605 (CHEMBL4526673) Show SMILES C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C30H27N9O3/c1-17-22(15-31)26(37-30(32)35-17)34-18(2)27-36-24-10-6-9-23(25(24)29(41)39(27)21-7-4-3-5-8-21)33-16-19-11-13-20(14-12-19)28(40)38-42/h3-14,18,33,42H,16H2,1-2H3,(H,38,40)(H3,32,34,35,37)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50527624 (CHEMBL4450613) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C31H29N9O3/c1-2-23(35-27-22(17-32)26(33)37-31(34)38-27)28-36-24-10-6-7-19(14-11-18-12-15-20(16-13-18)29(41)39-43)25(24)30(42)40(28)21-8-4-3-5-9-21/h3-10,12-13,15-16,23,43H,2,11,14H2,1H3,(H,39,41)(H5,33,34,35,37,38)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50527610 (CHEMBL4583074) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CNc3ncc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H24N12O3/c1-14(34-22-18(10-28)21(29)36-26(30)37-22)23-35-19-9-5-6-15(11-31-27-32-12-16(13-33-27)24(40)38-42)20(19)25(41)39(23)17-7-3-2-4-8-17/h2-9,12-14,42H,11H2,1H3,(H,38,40)(H,31,32,33)(H5,29,30,34,36,37)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic pep...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic pep...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50527634 (CHEMBL4456827) Show SMILES CC[C@H](Nc1ncnc(N)c1Cl)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H26ClN9O3/c1-2-19(35-25-23(29)24(30)33-15-34-25)26-36-21-10-6-9-20(22(21)28(40)38(26)18-7-4-3-5-8-18)32-14-17-12-11-16(13-31-17)27(39)37-41/h3-13,15,19,32,41H,2,14H2,1H3,(H,37,39)(H3,30,33,34,35)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic pep...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50527610 (CHEMBL4583074) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CNc3ncc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H24N12O3/c1-14(34-22-18(10-28)21(29)36-26(30)37-22)23-35-19-9-5-6-15(11-31-27-32-12-16(13-33-27)24(40)38-42)20(19)25(41)39(23)17-7-3-2-4-8-17/h2-9,12-14,42H,11H2,1H3,(H,38,40)(H,31,32,33)(H5,29,30,34,36,37)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM25045 (3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50527622 (CHEMBL4550648) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H31N9O3/c1-2-20(32-25-19(16-29)24(30)34-28(31)35-25)26-33-21-14-9-11-17(10-5-3-8-15-22(38)36-40)23(21)27(39)37(26)18-12-6-4-7-13-18/h4,6-7,9,11-14,20,40H,2-3,5,8,10,15H2,1H3,(H,36,38)(H5,30,31,32,34,35)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50527629 (CHEMBL4459679) Show SMILES CC[C@H](Nc1cc(C)nc(N)n1)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C30H30N8O3/c1-3-22(34-25-16-18(2)33-30(31)36-25)27-35-24-11-7-10-23(26(24)29(40)38(27)21-8-5-4-6-9-21)32-17-19-12-14-20(15-13-19)28(39)37-41/h4-16,22,32,41H,3,17H2,1-2H3,(H,37,39)(H3,31,33,34,36)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic pep...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50527625 (CHEMBL4467927) Show SMILES CC[C@H](Nc1ncnc(N)c1Cl)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H27ClN8O3/c1-2-20(35-26-24(30)25(31)33-16-34-26)27-36-22-10-6-9-21(23(22)29(40)38(27)19-7-4-3-5-8-19)32-15-17-11-13-18(14-12-17)28(39)37-41/h3-14,16,20,32,41H,2,15H2,1H3,(H,37,39)(H3,31,33,34,35)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic pep...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM25045 (3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50527633 (CHEMBL4464812) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C30H28N10O3/c1-2-21(35-26-20(15-31)25(32)37-30(33)38-26)27-36-23-10-6-9-22(24(23)29(42)40(27)19-7-4-3-5-8-19)34-16-17-11-13-18(14-12-17)28(41)39-43/h3-14,21,34,43H,2,16H2,1H3,(H,39,41)(H5,32,33,35,37,38)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic pep...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50527613 (CHEMBL4460447) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H26N10O3/c1-16(34-25-20(14-30)24(31)36-29(32)37-25)26-35-22-9-5-8-21(23(22)28(41)39(26)19-6-3-2-4-7-19)33-15-17-10-12-18(13-11-17)27(40)38-42/h2-13,16,33,42H,15H2,1H3,(H,38,40)(H5,31,32,34,36,37)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50527605 (CHEMBL4526673) Show SMILES C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C30H27N9O3/c1-17-22(15-31)26(37-30(32)35-17)34-18(2)27-36-24-10-6-9-23(25(24)29(41)39(27)21-7-4-3-5-8-21)33-16-19-11-13-20(14-12-19)28(40)38-42/h3-14,18,33,42H,16H2,1-2H3,(H,38,40)(H3,32,34,35,37)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50527613 (CHEMBL4460447) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H26N10O3/c1-16(34-25-20(14-30)24(31)36-29(32)37-25)26-35-22-9-5-8-21(23(22)28(41)39(26)19-6-3-2-4-7-19)33-15-17-10-12-18(13-11-17)27(40)38-42/h2-13,16,33,42H,15H2,1H3,(H,38,40)(H5,31,32,34,36,37)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50527604 (CHEMBL4578757) Show SMILES CC[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C30H27N9O3/c1-2-22(36-27-21(15-31)26(32)34-17-35-27)28-37-24-10-6-9-23(25(24)30(41)39(28)20-7-4-3-5-8-20)33-16-18-11-13-19(14-12-18)29(40)38-42/h3-14,17,22,33,42H,2,16H2,1H3,(H,38,40)(H3,32,34,35,36)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic pep...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50456309 (CHEMBL4207222) Show SMILES COc1ccc2c(-c3ccc(cc3)C3(CC3)C#N)c(cnc2c1)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C26H26N4O4S/c1-34-20-7-8-21-23(15-20)28-16-22(25(31)29-11-13-30(14-12-29)35(2,32)33)24(21)18-3-5-19(6-4-18)26(17-27)9-10-26/h3-8,15-16H,9-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...				J Med Chem 61: 4883-4903 (2018) Article DOI: 10.1021/acs.jmedchem.8b00270 BindingDB Entry DOI: 10.7270/Q2SB48BH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50527627 (CHEMBL4516095) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C30H27N9O3/c1-2-21(36-27-25-26(33-16-32-25)34-17-35-27)28-37-23-10-6-9-22(24(23)30(41)39(28)20-7-4-3-5-8-20)31-15-18-11-13-19(14-12-18)29(40)38-42/h3-14,16-17,21,31,42H,2,15H2,1H3,(H,38,40)(H2,32,33,34,35,36)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic pep...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50527628 (CHEMBL4555432) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C31H28N8O3/c1-2-23(36-28-26-27(33-17-32-26)34-18-35-28)29-37-24-10-6-7-20(14-11-19-12-15-21(16-13-19)30(40)38-42)25(24)31(41)39(29)22-8-4-3-5-9-22/h3-10,12-13,15-18,23,42H,2,11,14H2,1H3,(H,38,40)(H2,32,33,34,35,36)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50527608 (CHEMBL4445342) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H28N8O3/c1-2-19(32-25-23-24(29-15-28-23)30-16-31-25)26-33-20-13-8-10-17(9-6-7-14-21(36)34-38)22(20)27(37)35(26)18-11-4-3-5-12-18/h3-5,8,10-13,15-16,19,38H,2,6-7,9,14H2,1H3,(H,34,36)(H2,28,29,30,31,32)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50527611 (CHEMBL4544187) Show SMILES CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(NCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H31N9O3/c1-3-20(33-25-19(16-29)17(2)32-28(30)35-25)26-34-22-13-9-12-21(31-15-8-7-14-23(38)36-40)24(22)27(39)37(26)18-10-5-4-6-11-18/h4-6,9-13,20,31,40H,3,7-8,14-15H2,1-2H3,(H,36,38)(H3,30,32,33,35)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50527619 (CHEMBL4451623) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H30N8O3/c1-2-20(33-26-24-25(30-16-29-24)31-17-32-26)27-34-21-14-9-11-18(10-5-3-8-15-22(37)35-39)23(21)28(38)36(27)19-12-6-4-7-13-19/h4,6-7,9,11-14,16-17,20,39H,2-3,5,8,10,15H2,1H3,(H,35,37)(H2,29,30,31,32,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic pep...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50456228 (CHEMBL4215704) Show SMILES CC(C)(C#N)c1ccc(cc1)-c1c(cnc2ccc(F)cc12)C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C28H27FN4O2/c1-28(2,17-30)20-7-5-18(6-8-20)25-22-15-21(29)9-10-24(22)31-16-23(25)27(35)33-13-11-32(12-14-33)26(34)19-3-4-19/h5-10,15-16,19H,3-4,11-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...				J Med Chem 61: 4883-4903 (2018) Article DOI: 10.1021/acs.jmedchem.8b00270 BindingDB Entry DOI: 10.7270/Q2SB48BH
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50456249 (CHEMBL4212671) Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1-c1ccc(cc1)C1(CC1)C#N Show InChI InChI=1S/C26H26FN5O3S/c1-30(2)36(34,35)32-13-11-31(12-14-32)25(33)22-16-29-23-8-7-20(27)15-21(23)24(22)18-3-5-19(6-4-18)26(17-28)9-10-26/h3-8,15-16H,9-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...				J Med Chem 61: 4883-4903 (2018) Article DOI: 10.1021/acs.jmedchem.8b00270 BindingDB Entry DOI: 10.7270/Q2SB48BH
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50456224 (CHEMBL4207514) Show SMILES CN(C)C(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(CC1)(C#N)c1ccccc1 Show InChI InChI=1S/C29H31FN6O2/c1-33(2)28(38)36-16-14-35(15-17-36)27(37)24-19-32-25-9-8-22(30)18-23(25)26(24)34-12-10-29(20-31,11-13-34)21-6-4-3-5-7-21/h3-9,18-19H,10-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...				J Med Chem 61: 4883-4903 (2018) Article DOI: 10.1021/acs.jmedchem.8b00270 BindingDB Entry DOI: 10.7270/Q2SB48BH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50527613 (CHEMBL4460447) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H26N10O3/c1-16(34-25-20(14-30)24(31)36-29(32)37-25)26-35-22-9-5-8-21(23(22)28(41)39(26)19-6-3-2-4-7-19)33-15-17-10-12-18(13-11-17)27(40)38-42/h2-13,16,33,42H,15H2,1H3,(H,38,40)(H5,31,32,34,36,37)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic pep...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50456233 (CHEMBL4211904) Show SMILES Fc1ccc2ncc(C(=O)N3CCN(CC3)C(=O)C3CC3)c(-c3ccc(cc3)C3(CC3)C#N)c2c1 Show InChI InChI=1S/C28H25FN4O2/c29-21-7-8-24-22(15-21)25(18-3-5-20(6-4-18)28(17-30)9-10-28)23(16-31-24)27(35)33-13-11-32(12-14-33)26(34)19-1-2-19/h3-8,15-16,19H,1-2,9-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...				J Med Chem 61: 4883-4903 (2018) Article DOI: 10.1021/acs.jmedchem.8b00270 BindingDB Entry DOI: 10.7270/Q2SB48BH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50527602 (CHEMBL4581057) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CNc3ncc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H25N11O3/c1-2-19(36-24-22-23(33-14-32-22)34-15-35-24)25-37-20-10-6-7-16(11-29-28-30-12-17(13-31-28)26(40)38-42)21(20)27(41)39(25)18-8-4-3-5-9-18/h3-10,12-15,19,42H,2,11H2,1H3,(H,38,40)(H,29,30,31)(H2,32,33,34,35,36)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic pep...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193 BindingDB Entry DOI: 10.7270/Q2KS6W0V
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (Homo sapiens (Human))	BDBM50456223 (CHEMBL4206892) Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(CC1)(C#N)c1ccccc1 Show InChI InChI=1S/C27H28FN5O3S/c1-37(35,36)33-15-13-32(14-16-33)26(34)23-18-30-24-8-7-21(28)17-22(24)25(23)31-11-9-27(19-29,10-12-31)20-5-3-2-4-6-20/h2-8,17-18H,9-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of ALDH1A1 in human SKOV3TR cells assessed as potentiation of paclitaxel-mediated cytotoxicity by measuring paclitaxel IC50 at 30 uM after...				J Med Chem 61: 4883-4903 (2018) Article DOI: 10.1021/acs.jmedchem.8b00270 BindingDB Entry DOI: 10.7270/Q2SB48BH
					More data for this Ligand-Target Pair

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