Compile Data Set for Download or QSAR

Found 638 hits with Last Name = 'bertrand' and Initial = 'sm'   

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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506311 (CHEMBL4462123) Show SMILES COc1ncc(cc1NS(=O)(=O)CC#N)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 Show InChI InChI=1S/C26H34N4O6S/c1-26(2,31)21-4-7-30(8-5-21)9-10-36-24-14-18(12-20-16-35-17-22(20)24)19-13-23(25(34-3)28-15-19)29-37(32,33)11-6-27/h12-15,21,29,31H,4-5,7-11,16-17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50506332 (CHEMBL4561242) Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H](C)N2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C28H41N3O7S/c1-19(31-8-6-23(7-9-31)28(2,3)32)16-38-26-14-20(12-22-17-37-18-24(22)26)21-13-25(27(36-5)29-15-21)30-39(33,34)11-10-35-4/h12-15,19,23,30,32H,6-11,16-18H2,1-5H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of VPS34 in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506329 (CHEMBL4518946) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(CC(C)(C)O)CCO2)c1 |r| Show InChI InChI=1S/C24H33N3O7S/c1-24(2,28)15-27-5-6-33-19(11-27)13-34-22-9-16(7-18-12-32-14-20(18)22)17-8-21(26-35(4,29)30)23(31-3)25-10-17/h7-10,19,26,28H,5-6,11-15H2,1-4H3/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506329 (CHEMBL4518946) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(CC(C)(C)O)CCO2)c1 |r| Show InChI InChI=1S/C24H33N3O7S/c1-24(2,28)15-27-5-6-33-19(11-27)13-34-22-9-16(7-18-12-32-14-20(18)22)17-8-21(26-35(4,29)30)23(31-3)25-10-17/h7-10,19,26,28H,5-6,11-15H2,1-4H3/t19-/m1/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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506325 (CHEMBL4567736) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2[C@@H](C)OCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C26H37N3O6S/c1-17-21-12-18(19-13-23(28-36(5,31)32)25(33-4)27-15-19)14-24(22(21)16-35-17)34-11-10-29-8-6-20(7-9-29)26(2,3)30/h12-15,17,20,28,30H,6-11,16H2,1-5H3/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506328 (CHEMBL4447804) Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(O[C@@H](C)CN2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C28H41N3O7S/c1-19(16-31-8-6-23(7-9-31)28(2,3)32)38-26-14-20(12-22-17-37-18-24(22)26)21-13-25(27(36-5)29-15-21)30-39(33,34)11-10-35-4/h12-15,19,23,30,32H,6-11,16-18H2,1-5H3/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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506333 (CHEMBL4553962) Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CC(C)(C)O)CCO2)c1 |r| Show InChI InChI=1S/C26H37N3O8S/c1-26(2,30)17-29-5-6-36-21(13-29)15-37-24-11-18(9-20-14-35-16-22(20)24)19-10-23(25(34-4)27-12-19)28-38(31,32)8-7-33-3/h9-12,21,28,30H,5-8,13-17H2,1-4H3/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50506327 (CHEMBL4449047) Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@@H](C)N2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C28H41N3O7S/c1-19(31-8-6-23(7-9-31)28(2,3)32)16-38-26-14-20(12-22-17-37-18-24(22)26)21-13-25(27(36-5)29-15-21)30-39(33,34)11-10-35-4/h12-15,19,23,30,32H,6-11,16-18H2,1-5H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of VPS34 in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506320 (CHEMBL4436797) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2COC2)c1 |r| Show InChI InChI=1S/C23H29N3O7S/c1-29-23-21(25-34(2,27)28)6-16(8-24-23)15-5-17-10-30-14-20(17)22(7-15)33-13-19-9-26(3-4-32-19)18-11-31-12-18/h5-8,18-19,25H,3-4,9-14H2,1-2H3/t19-/m1/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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506327 (CHEMBL4449047) Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@@H](C)N2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C28H41N3O7S/c1-19(31-8-6-23(7-9-31)28(2,3)32)16-38-26-14-20(12-22-17-37-18-24(22)26)21-13-25(27(36-5)29-15-21)30-39(33,34)11-10-35-4/h12-15,19,23,30,32H,6-11,16-18H2,1-5H3/t19-/m1/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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506346 (CHEMBL4436659) Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2CCC2)c1 |r| Show InChI InChI=1S/C26H35N3O7S/c1-32-8-9-37(30,31)28-24-11-19(13-27-26(24)33-2)18-10-20-15-34-17-23(20)25(12-18)36-16-22-14-29(6-7-35-22)21-4-3-5-21/h10-13,21-22,28H,3-9,14-17H2,1-2H3/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506331 (CHEMBL4466265) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 Show InChI InChI=1S/C26H37N3O6S/c1-26(2,30)21-5-8-29(9-6-21)10-12-35-24-15-18(13-20-17-34-11-7-22(20)24)19-14-23(28-36(4,31)32)25(33-3)27-16-19/h13-16,21,28,30H,5-12,17H2,1-4H3	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506323 (CHEMBL4556087) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 Show InChI InChI=1S/C25H35N3O6S/c1-25(2,29)20-5-7-28(8-6-20)9-10-34-23-13-17(11-19-15-33-16-21(19)23)18-12-22(27-35(4,30)31)24(32-3)26-14-18/h11-14,20,27,29H,5-10,15-16H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506320 (CHEMBL4436797) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2COC2)c1 |r| Show InChI InChI=1S/C23H29N3O7S/c1-29-23-21(25-34(2,27)28)6-16(8-24-23)15-5-17-10-30-14-20(17)22(7-15)33-13-19-9-26(3-4-32-19)18-11-31-12-18/h5-8,18-19,25H,3-4,9-14H2,1-2H3/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506332 (CHEMBL4561242) Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H](C)N2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C28H41N3O7S/c1-19(31-8-6-23(7-9-31)28(2,3)32)16-38-26-14-20(12-22-17-37-18-24(22)26)21-13-25(27(36-5)29-15-21)30-39(33,34)11-10-35-4/h12-15,19,23,30,32H,6-11,16-18H2,1-5H3/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	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506338 (CHEMBL4533741) Show SMILES COCCN1CCO[C@@H](COc2cc(cc3COCc23)-c2cnc(OC)c(NS(C)(=O)=O)c2)C1 |r| Show InChI InChI=1S/C23H31N3O7S/c1-29-6-4-26-5-7-32-19(12-26)14-33-22-10-16(8-18-13-31-15-20(18)22)17-9-21(25-34(3,27)28)23(30-2)24-11-17/h8-11,19,25H,4-7,12-15H2,1-3H3/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506315 (CHEMBL4579923) Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2COC2)c1 |r| Show InChI InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506315 (CHEMBL4579923) Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2COC2)c1 |r| Show InChI InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506326 (CHEMBL4538635) Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 Show InChI InChI=1S/C27H39N3O7S/c1-27(2,31)22-5-7-30(8-6-22)9-10-37-25-15-19(13-21-17-36-18-23(21)25)20-14-24(26(35-4)28-16-20)29-38(32,33)12-11-34-3/h13-16,22,29,31H,5-12,17-18H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506330 (CHEMBL4580593) Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C(C)C)c1 |r| Show InChI InChI=1S/C25H35N3O7S/c1-17(2)28-5-6-34-21(13-28)15-35-24-11-18(9-20-14-33-16-22(20)24)19-10-23(25(32-4)26-12-19)27-36(29,30)8-7-31-3/h9-12,17,21,27H,5-8,13-16H2,1-4H3/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506325 (CHEMBL4567736) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2[C@@H](C)OCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C26H37N3O6S/c1-17-21-12-18(19-13-23(28-36(5,31)32)25(33-4)27-15-19)14-24(22(21)16-35-17)34-11-10-29-8-6-20(7-9-29)26(2,3)30/h12-15,17,20,28,30H,6-11,16H2,1-5H3/t17-/m1/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	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human whole blood assessed as reduction in cytostim-stimulated IFNgamma production preincubated for 1 hr followed by cytos...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506331 (CHEMBL4466265) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 Show InChI InChI=1S/C26H37N3O6S/c1-26(2,30)21-5-8-29(9-6-21)10-12-35-24-15-18(13-20-17-34-11-7-22(20)24)19-14-23(28-36(4,31)32)25(33-3)27-16-19/h13-16,21,28,30H,5-12,17H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118668 (CHEMBL3617086) Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Br)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H16BrF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506310 (CHEMBL4453668) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2C[C@H](C)O[C@H](C)C2)c1 |r| Show InChI InChI=1S/C23H31N3O6S/c1-15-11-26(12-16(2)32-15)5-6-31-22-9-17(7-19-13-30-14-20(19)22)18-8-21(25-33(4,27)28)23(29-3)24-10-18/h7-10,15-16,25H,5-6,11-14H2,1-4H3/t15-,16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506312 (CHEMBL4519361) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(C)CCO2)c1 |r| Show InChI InChI=1S/C21H27N3O6S/c1-24-4-5-29-17(10-24)12-30-20-8-14(6-16-11-28-13-18(16)20)15-7-19(23-31(3,25)26)21(27-2)22-9-15/h6-9,17,23H,4-5,10-13H2,1-3H3/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118669 (CHEMBL3617083) Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Br)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H17BrFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118637 (CHEMBL3617084) Show SMILES CCCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r| Show InChI InChI=1S/C19H19BrFN5O/c1-3-4-5-13-9-17(27)26-19(24-13)15(10-22)18(25-26)23-11(2)14-7-6-12(20)8-16(14)21/h6-9,11,24H,3-5H2,1-2H3,(H,23,25)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506318 (CHEMBL4444082) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCC2CCCN(C)C2)c1 Show InChI InChI=1S/C22H29N3O5S/c1-25-6-4-5-15(11-25)12-30-21-9-16(7-18-13-29-14-19(18)21)17-8-20(24-31(3,26)27)22(28-2)23-10-17/h7-10,15,24H,4-6,11-14H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118672 (CHEMBL3617082) Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H17ClFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506318 (CHEMBL4444082) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCC2CCCN(C)C2)c1 Show InChI InChI=1S/C22H29N3O5S/c1-25-6-4-5-15(11-25)12-30-21-9-16(7-18-13-29-14-19(18)21)17-8-20(24-31(3,26)27)22(28-2)23-10-17/h7-10,15,24H,4-6,11-14H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118665 (CHEMBL3617085) Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H16ClF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506342 (CHEMBL4448491) Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@@H]2CN(CCO2)C2COC2)c1 |r| Show InChI InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506345 (CHEMBL4472036) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)n1 Show InChI InChI=1S/C24H34N4O6S/c1-24(2,29)18-5-7-28(8-6-18)9-10-34-22-19-15-33-14-17(19)12-20(26-22)16-11-21(27-35(4,30)31)23(32-3)25-13-16/h11-13,18,27,29H,5-10,14-15H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50506329 (CHEMBL4518946) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(CC(C)(C)O)CCO2)c1 |r| Show InChI InChI=1S/C24H33N3O7S/c1-24(2,28)15-27-5-6-33-19(11-27)13-34-22-9-16(7-18-12-32-14-20(18)22)17-8-21(26-35(4,29)30)23(31-3)25-10-17/h7-10,19,26,28H,5-6,11-15H2,1-4H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of VPS34 in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506327 (CHEMBL4449047) Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@@H](C)N2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C28H41N3O7S/c1-19(31-8-6-23(7-9-31)28(2,3)32)16-38-26-14-20(12-22-17-37-18-24(22)26)21-13-25(27(36-5)29-15-21)30-39(33,34)11-10-35-4/h12-15,19,23,30,32H,6-11,16-18H2,1-5H3/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530304 (CHEMBL4445989) Show SMILES C[C@H]1CN(N=C1NC(=O)c1cncnc1)c1ccc(Cl)c(Cl)c1 |r,c:4| Show InChI InChI=1S/C15H13Cl2N5O/c1-9-7-22(11-2-3-12(16)13(17)4-11)21-14(9)20-15(23)10-5-18-8-19-6-10/h2-6,8-9H,7H2,1H3,(H,20,21,23)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Activation of full length human 6His-tagged c-Abl expressed in baculovirus expression system using abltide as substrate after 2 hrs by IMAP assay				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50506320 (CHEMBL4436797) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2COC2)c1 |r| Show InChI InChI=1S/C23H29N3O7S/c1-29-23-21(25-34(2,27)28)6-16(8-24-23)15-5-17-10-30-14-20(17)22(7-15)33-13-19-9-26(3-4-32-19)18-11-31-12-18/h5-8,18-19,25H,3-4,9-14H2,1-2H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of VPS34 in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118524 (CHEMBL3617080) Show SMILES CCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r| Show InChI InChI=1S/C18H17BrFN5O/c1-3-4-12-8-16(26)25-18(23-12)14(9-21)17(24-25)22-10(2)13-6-5-11(19)7-15(13)20/h5-8,10,23H,3-4H2,1-2H3,(H,22,24)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506316 (CHEMBL4545906) Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 Show InChI InChI=1S/C28H41N3O7S/c1-28(2,32)23-5-8-31(9-6-23)10-12-38-26-17-20(15-22-19-37-11-7-24(22)26)21-16-25(27(36-4)29-18-21)30-39(33,34)14-13-35-3/h15-18,23,30,32H,5-14,19H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530304 (CHEMBL4445989) Show SMILES C[C@H]1CN(N=C1NC(=O)c1cncnc1)c1ccc(Cl)c(Cl)c1 |r,c:4| Show InChI InChI=1S/C15H13Cl2N5O/c1-9-7-22(11-2-3-12(16)13(17)4-11)21-14(9)20-15(23)10-5-18-8-19-6-10/h2-6,8-9H,7H2,1H3,(H,20,21,23)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Activation of full length human 6His-tagged c-Abl expressed in baculovirus expression system using abltide as substrate after 2 hrs by IMAP assay				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50506328 (CHEMBL4447804) Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(O[C@@H](C)CN2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C28H41N3O7S/c1-19(16-31-8-6-23(7-9-31)28(2,3)32)38-26-14-20(12-22-17-37-18-24(22)26)21-13-25(27(36-5)29-15-21)30-39(33,34)11-10-35-4/h12-15,19,23,30,32H,6-11,16-18H2,1-5H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of VPS34 in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506324 (CHEMBL4580436) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OCCN2CCC(CC2)C(C)(C)O)c2COCc2c1F Show InChI InChI=1S/C25H34FN3O6S/c1-25(2,30)17-5-7-29(8-6-17)9-10-35-22-12-18(23(26)20-15-34-14-19(20)22)16-11-21(28-36(4,31)32)24(33-3)27-13-16/h11-13,17,28,30H,5-10,14-15H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506316 (CHEMBL4545906) Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 Show InChI InChI=1S/C28H41N3O7S/c1-28(2,32)23-5-8-31(9-6-23)10-12-38-26-17-20(15-22-19-37-11-7-24(22)26)21-16-25(27(36-4)29-18-21)30-39(33,34)14-13-35-3/h15-18,23,30,32H,5-14,19H2,1-4H3	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	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human whole blood assessed as reduction in cytostim-stimulated IFNgamma production preincubated for 1 hr followed by cytos...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118523 (CHEMBL3617079) Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Br)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C17H15BrFN5O/c1-2-3-12-7-15(25)24-17(22-12)13(8-20)16(23-24)21-9-10-4-5-11(18)6-14(10)19/h4-7,22H,2-3,9H2,1H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506332 (CHEMBL4561242) Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H](C)N2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C28H41N3O7S/c1-19(31-8-6-23(7-9-31)28(2,3)32)16-38-26-14-20(12-22-17-37-18-24(22)26)21-13-25(27(36-5)29-15-21)30-39(33,34)11-10-35-4/h12-15,19,23,30,32H,6-11,16-18H2,1-5H3/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118588 (CHEMBL3617095) Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Br)cc3)c(C#N)c2[nH]1 Show InChI InChI=1S/C17H16BrN5O/c1-2-3-13-8-15(24)23-17(21-13)14(9-19)16(22-23)20-10-11-4-6-12(18)7-5-11/h4-8,21H,2-3,10H2,1H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506327 (CHEMBL4449047) Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@@H](C)N2CCC(CC2)C(C)(C)O)c1 |r| Show InChI InChI=1S/C28H41N3O7S/c1-19(31-8-6-23(7-9-31)28(2,3)32)16-38-26-14-20(12-22-17-37-18-24(22)26)21-13-25(27(36-5)29-15-21)30-39(33,34)11-10-35-4/h12-15,19,23,30,32H,6-11,16-18H2,1-5H3/t19-/m1/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	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human whole blood assessed as reduction in cytostim-stimulated IFNgamma production preincubated for 1 hr followed by cytos...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50506334 (CHEMBL4561182) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(c1)C(=O)NC[C@@H]1C[C@H](C)O[C@H](C)C1 |r| Show InChI InChI=1S/C24H31N3O6S/c1-14-5-16(6-15(2)33-14)10-25-23(28)20-8-17(7-19-12-32-13-21(19)20)18-9-22(27-34(4,29)30)24(31-3)26-11-18/h7-9,11,14-16,27H,5-6,10,12-13H2,1-4H3,(H,25,28)/t14-,15+,16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus...				J Med Chem 63: 638-655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530295 (CHEMBL4453927) Show SMILES Cn1ncc(c1C(=O)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)[N+]([O-])=O Show InChI InChI=1S/C14H9Cl2N5O3S/c1-20-12(11(5-17-20)21(23)24)13(22)19-14-18-10(6-25-14)7-2-3-8(15)9(16)4-7/h2-6H,1H3,(H,18,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Activation of full length human 6His-tagged c-Abl expressed in baculovirus expression system using abltide as substrate after 2 hrs by IMAP assay				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530295 (CHEMBL4453927) Show SMILES Cn1ncc(c1C(=O)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)[N+]([O-])=O Show InChI InChI=1S/C14H9Cl2N5O3S/c1-20-12(11(5-17-20)21(23)24)13(22)19-14-18-10(6-25-14)7-2-3-8(15)9(16)4-7/h2-6H,1H3,(H,18,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Activation of full length human 6His-tagged c-Abl expressed in baculovirus expression system using abltide as substrate after 2 hrs by IMAP assay				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair

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