Compile Data Set for Download or QSAR

Found 179 hits with Last Name = 'meng' and Initial = 'lh'   

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))	BDBM50457170 (CHEMBL4208385) Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2[nH]cc(-c3ccncc3)c2c1 Show InChI InChI=1S/C23H15ClFN5O2S/c24-22-21(30-33(31,32)18-3-1-17(25)2-4-18)10-16(11-27-22)15-9-19-20(13-29-23(19)28-12-15)14-5-7-26-8-6-14/h1-13,30H,(H,28,29)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate ...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					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))	BDBM50457173 (CHEMBL4213317) Show SMILES Fc1ccccc1S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2[nH]cc(-c3ccncc3)c2c1 Show InChI InChI=1S/C23H15ClFN5O2S/c24-22-20(30-33(31,32)21-4-2-1-3-19(21)25)10-16(11-27-22)15-9-17-18(13-29-23(17)28-12-15)14-5-7-26-8-6-14/h1-13,30H,(H,28,29)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate ...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50457159 (CHEMBL4217725) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]cc(-c3ccncc3)c2c1 Show InChI InChI=1S/C23H16ClN5O2S/c24-22-21(29-32(30,31)18-4-2-1-3-5-18)11-17(12-26-22)16-10-19-20(14-28-23(19)27-13-16)15-6-8-25-9-7-15/h1-14,29H,(H,27,28)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human PI3K p110gamma expressed in baculovirus expression system using PIP2/PS as substrate after 1 h...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					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))	BDBM50457159 (CHEMBL4217725) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]cc(-c3ccncc3)c2c1 Show InChI InChI=1S/C23H16ClN5O2S/c24-22-21(29-32(30,31)18-4-2-1-3-5-18)11-17(12-26-22)16-10-19-20(14-28-23(19)27-13-16)15-6-8-25-9-7-15/h1-14,29H,(H,27,28)	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate ...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50457173 (CHEMBL4213317) Show SMILES Fc1ccccc1S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2[nH]cc(-c3ccncc3)c2c1 Show InChI InChI=1S/C23H15ClFN5O2S/c24-22-20(30-33(31,32)21-4-2-1-3-19(21)25)10-16(11-27-22)15-9-17-18(13-29-23(17)28-12-15)14-5-7-26-8-6-14/h1-13,30H,(H,28,29)	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
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human PI3K p110gamma expressed in baculovirus expression system using PIP2/PS as substrate after 1 h...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50457170 (CHEMBL4208385) Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2[nH]cc(-c3ccncc3)c2c1 Show InChI InChI=1S/C23H15ClFN5O2S/c24-22-21(30-33(31,32)18-3-1-17(25)2-4-18)10-16(11-27-22)15-9-19-20(13-29-23(19)28-12-15)14-5-7-26-8-6-14/h1-13,30H,(H,28,29)	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
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human PI3K p110gamma expressed in baculovirus expression system using PIP2/PS as substrate after 1 h...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					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))	BDBM50457158 (CHEMBL4212775) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]nc(-c3ccncc3)c2c1 Show InChI InChI=1S/C22H15ClN6O2S/c23-21-19(29-32(30,31)17-4-2-1-3-5-17)11-16(12-25-21)15-10-18-20(14-6-8-24-9-7-14)27-28-22(18)26-13-15/h1-13,29H,(H,26,27,28)	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate ...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50457158 (CHEMBL4212775) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]nc(-c3ccncc3)c2c1 Show InChI InChI=1S/C22H15ClN6O2S/c23-21-19(29-32(30,31)17-4-2-1-3-5-17)11-16(12-25-21)15-10-18-20(14-6-8-24-9-7-14)27-28-22(18)26-13-15/h1-13,29H,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2/PS as...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					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))	BDBM50457171 (CHEMBL4214320) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]ccc2c1 Show InChI InChI=1S/C18H13ClN4O2S/c19-17-16(23-26(24,25)15-4-2-1-3-5-15)9-14(10-21-17)13-8-12-6-7-20-18(12)22-11-13/h1-11,23H,(H,20,22)	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	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate ...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50457159 (CHEMBL4217725) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]cc(-c3ccncc3)c2c1 Show InChI InChI=1S/C23H16ClN5O2S/c24-22-21(29-32(30,31)18-4-2-1-3-5-18)11-17(12-26-22)16-10-19-20(14-28-23(19)27-13-16)15-6-8-25-9-7-15/h1-14,29H,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2/PS as...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50457170 (CHEMBL4208385) Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2[nH]cc(-c3ccncc3)c2c1 Show InChI InChI=1S/C23H15ClFN5O2S/c24-22-21(30-33(31,32)18-3-1-17(25)2-4-18)10-16(11-27-22)15-9-19-20(13-29-23(19)28-12-15)14-5-7-26-8-6-14/h1-13,30H,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2/PS as...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					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))	BDBM50457160 (CHEMBL4204119) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]ncc2c1 Show InChI InChI=1S/C17H12ClN5O2S/c18-16-15(23-26(24,25)14-4-2-1-3-5-14)7-12(8-19-16)11-6-13-10-21-22-17(13)20-9-11/h1-10,23H,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate ...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					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))	BDBM50457168 (CHEMBL4204586) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]cc(-c3ccccc3)c2c1 Show InChI InChI=1S/C24H17ClN4O2S/c25-23-22(29-32(30,31)19-9-5-2-6-10-19)12-18(13-26-23)17-11-20-21(15-28-24(20)27-14-17)16-7-3-1-4-8-16/h1-15,29H,(H,27,28)	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	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate ...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					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))	BDBM50457169 (CHEMBL4216255) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]nc(-c3ccccc3)c2c1 Show InChI InChI=1S/C23H16ClN5O2S/c24-22-20(29-32(30,31)18-9-5-2-6-10-18)12-17(13-25-22)16-11-19-21(15-7-3-1-4-8-15)27-28-23(19)26-14-16/h1-14,29H,(H,26,27,28)	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	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate ...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50457173 (CHEMBL4213317) Show SMILES Fc1ccccc1S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2[nH]cc(-c3ccncc3)c2c1 Show InChI InChI=1S/C23H15ClFN5O2S/c24-22-20(30-33(31,32)21-4-2-1-3-19(21)25)10-16(11-27-22)15-9-17-18(13-29-23(17)28-12-15)14-5-7-26-8-6-14/h1-13,30H,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2/PS as...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50457169 (CHEMBL4216255) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]nc(-c3ccccc3)c2c1 Show InChI InChI=1S/C23H16ClN5O2S/c24-22-20(29-32(30,31)18-9-5-2-6-10-18)12-17(13-25-22)16-11-19-21(15-7-3-1-4-8-15)27-28-23(19)26-14-16/h1-14,29H,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia 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
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2/PS as...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50457168 (CHEMBL4204586) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]cc(-c3ccccc3)c2c1 Show InChI InChI=1S/C24H17ClN4O2S/c25-23-22(29-32(30,31)19-9-5-2-6-10-19)12-18(13-26-23)17-11-20-21(15-28-24(20)27-14-17)16-7-3-1-4-8-16/h1-15,29H,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia 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
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2/PS as...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50457170 (CHEMBL4208385) Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2[nH]cc(-c3ccncc3)c2c1 Show InChI InChI=1S/C23H15ClFN5O2S/c24-22-21(30-33(31,32)18-3-1-17(25)2-4-18)10-16(11-27-22)15-9-19-20(13-29-23(19)28-12-15)14-5-7-26-8-6-14/h1-13,30H,(H,28,29)	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
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3K p110beta using PIP2/PS as substrate after 1 hr by ADP-Glo luminescence assay				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50457159 (CHEMBL4217725) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]cc(-c3ccncc3)c2c1 Show InChI InChI=1S/C23H16ClN5O2S/c24-22-21(29-32(30,31)18-4-2-1-3-5-18)11-17(12-26-22)16-10-19-20(14-28-23(19)27-13-16)15-6-8-25-9-7-15/h1-14,29H,(H,27,28)	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
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3K p110beta using PIP2/PS as substrate after 1 hr by ADP-Glo luminescence assay				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403068 (CHEMBL2216870 | IDELALISIB | US9745321, CAL-101) Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of human full length His-tagged PI3Kdelta expressed in baculovirus expression system				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259731 (CHEMBL4075540) Show SMILES COCCOCCNC(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3ccccc3Cl)c(=O)c12 Show InChI InChI=1S/C38H37ClN8O5/c1-51-19-20-52-18-17-41-32(49)16-4-2-3-9-25-11-8-15-30-33(25)38(50)46(22-27-10-5-6-14-29(27)39)31(44-30)23-47-37-34(36(40)42-24-43-37)35(45-47)26-12-7-13-28(48)21-26/h5-8,10-15,21,24,48H,2,4,16-20,22-23H2,1H3,(H,41,49)(H2,40,42,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate after 2 hrs by TR-FRET assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50457173 (CHEMBL4213317) Show SMILES Fc1ccccc1S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2[nH]cc(-c3ccncc3)c2c1 Show InChI InChI=1S/C23H15ClFN5O2S/c24-22-20(30-33(31,32)21-4-2-1-3-19(21)25)10-16(11-27-22)15-9-17-18(13-29-23(17)28-12-15)14-5-7-26-8-6-14/h1-13,30H,(H,28,29)	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
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3K p110beta using PIP2/PS as substrate after 1 hr by ADP-Glo luminescence assay				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259733 (CHEMBL4073929) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCOCC3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C32H33N9O3/c1-2-24(36-29-23(20-33)28(34)38-32(35)39-29)30-37-25-14-9-11-21(27(25)31(43)41(30)22-12-6-4-7-13-22)10-5-3-8-15-26(42)40-16-18-44-19-17-40/h4,6-7,9,11-14,24H,2-3,8,15-19H2,1H3,(H5,34,35,36,38,39)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50457158 (CHEMBL4212775) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]nc(-c3ccncc3)c2c1 Show InChI InChI=1S/C22H15ClN6O2S/c23-21-19(29-32(30,31)17-4-2-1-3-5-17)11-16(12-25-21)15-10-18-20(14-6-8-24-9-7-14)27-28-22(18)26-13-15/h1-13,29H,(H,26,27,28)	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
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3K p110beta using PIP2/PS as substrate after 1 hr by ADP-Glo luminescence assay				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403068 (CHEMBL2216870 | IDELALISIB | US9745321, CAL-101) Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM330295 (Methyl (5-(6-((4-(methylsulfonyl)piperazin-1-yl)me...) Show SMILES COC(=O)Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2cc(CN3CCN(CC3)S(C)(=O)=O)cn2n1)C(F)(F)F Show InChI InChI=1S/C24H29F3N8O5S/c1-39-23(36)29-20-12-18(24(25,26)27)17(13-28-20)21-30-22(33-7-9-40-10-8-33)19-11-16(15-35(19)31-21)14-32-3-5-34(6-4-32)41(2,37)38/h11-13,15H,3-10,14H2,1-2H3,(H,28,29,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3Kalpha using PIP2 as substrate in presence of ATP measured after 30 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112913 BindingDB Entry DOI: 10.7270/Q2TF0228
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50457169 (CHEMBL4216255) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]nc(-c3ccccc3)c2c1 Show InChI InChI=1S/C23H16ClN5O2S/c24-22-20(29-32(30,31)18-9-5-2-6-10-18)12-17(13-25-22)16-11-19-21(15-7-3-1-4-8-15)27-28-23(19)26-14-16/h1-14,29H,(H,26,27,28)	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
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3K p110beta using PIP2/PS as substrate after 1 hr by ADP-Glo luminescence assay				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259729 (CHEMBL4060396) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCCC3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C32H33N9O2/c1-2-24(36-29-23(20-33)28(34)38-32(35)39-29)30-37-25-16-11-13-21(12-5-3-8-17-26(42)40-18-9-10-19-40)27(25)31(43)41(30)22-14-6-4-7-15-22/h4,6-7,11,13-16,24H,2-3,8-10,17-19H2,1H3,(H5,34,35,36,38,39)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50457158 (CHEMBL4212775) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]nc(-c3ccncc3)c2c1 Show InChI InChI=1S/C22H15ClN6O2S/c23-21-19(29-32(30,31)17-4-2-1-3-5-17)11-16(12-25-21)15-10-18-20(14-6-8-24-9-7-14)27-28-22(18)26-13-15/h1-13,29H,(H,26,27,28)	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	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human PI3K p110gamma expressed in baculovirus expression system using PIP2/PS as substrate after 1 h...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259740 (CHEMBL4098370) Show SMILES Cc1nc(N)nc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C34H34N8O2/c1-23-26(22-35)31(39-34(36)37-23)41-21-11-17-28(41)32-38-27-16-10-13-24(12-4-2-7-18-29(43)40-19-8-9-20-40)30(27)33(44)42(32)25-14-5-3-6-15-25/h3,5-6,10,13-16,28H,2,7-9,11,17-21H2,1H3,(H2,36,37,39)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM25028 (4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of human PI3K p110delta by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127194 BindingDB Entry DOI: 10.7270/Q20Z76VM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50126143 (Epacadostat | INCB-024360) Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 expressed in HEK293T cells assessed as reduction in N-formylkynurenine production incubated for 12 hrs by microplate reader ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112059 BindingDB Entry DOI: 10.7270/Q2PN997N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259734 (CHEMBL4087312) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#CCCCO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H26N8O2/c1-2-20(31-24-19(16-28)23(29)33-27(30)34-24)25-32-21-14-9-11-17(10-5-4-8-15-36)22(21)26(37)35(25)18-12-6-3-7-13-18/h3,6-7,9,11-14,20,36H,2,4,8,15H2,1H3,(H5,29,30,31,33,34)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259741 (CHEMBL4093653) Show SMILES Cc1nc(N)nc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCOCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C34H34N8O3/c1-23-26(22-35)31(39-34(36)37-23)41-17-9-15-28(41)32-38-27-14-8-11-24(30(27)33(44)42(32)25-12-5-3-6-13-25)10-4-2-7-16-29(43)40-18-20-45-21-19-40/h3,5-6,8,11-14,28H,2,7,9,15-21H2,1H3,(H2,36,37,39)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259739 (CHEMBL4092557) Show SMILES Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C33H32N8O2/c34-21-25-30(35)36-22-37-31(25)40-20-10-16-27(40)32-38-26-15-9-12-23(11-3-1-6-17-28(42)39-18-7-8-19-39)29(26)33(43)41(32)24-13-4-2-5-14-24/h2,4-5,9,12-15,22,27H,1,6-8,10,16-20H2,(H2,35,36,37)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259730 (CHEMBL4080347) Show SMILES Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCOCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C33H32N8O3/c34-21-25-30(35)36-22-37-31(25)40-16-8-14-27(40)32-38-26-13-7-10-23(29(26)33(43)41(32)24-11-4-2-5-12-24)9-3-1-6-15-28(42)39-17-19-44-20-18-39/h2,4-5,7,10-13,22,27H,1,6,8,14-20H2,(H2,35,36,37)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50457168 (CHEMBL4204586) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]cc(-c3ccccc3)c2c1 Show InChI InChI=1S/C24H17ClN4O2S/c25-23-22(29-32(30,31)19-9-5-2-6-10-19)12-18(13-26-23)17-11-20-21(15-28-24(20)27-14-17)16-7-3-1-4-8-16/h1-15,29H,(H,27,28)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human PI3K p110gamma expressed in baculovirus expression system using PIP2/PS as substrate after 1 h...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259738 (CHEMBL4064856) Show SMILES Cc1nc(N)nc(N2CC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCOCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C33H32N8O3/c1-22-25(21-34)30(38-33(35)36-22)40-16-15-27(40)31-37-26-13-8-10-23(29(26)32(43)41(31)24-11-5-3-6-12-24)9-4-2-7-14-28(42)39-17-19-44-20-18-39/h3,5-6,8,10-13,27H,2,7,14-20H2,1H3,(H2,35,36,38)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50457169 (CHEMBL4216255) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]nc(-c3ccccc3)c2c1 Show InChI InChI=1S/C23H16ClN5O2S/c24-22-20(29-32(30,31)18-9-5-2-6-10-18)12-17(13-25-22)16-11-19-21(15-7-3-1-4-8-15)27-28-23(19)26-14-16/h1-14,29H,(H,26,27,28)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human PI3K p110gamma expressed in baculovirus expression system using PIP2/PS as substrate after 1 h...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50436459 (CHEMBL2396661) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1	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 Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3Kalpha using PIP2 as substrate in presence of ATP measured after 30 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112913 BindingDB Entry DOI: 10.7270/Q2TF0228
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM330292 (1-(4-fluorophenyl)-3-(5-(6-((4-(methylsulfonyl)pip...) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(nn3c2)-c2cnc(NC(=O)Nc3ccc(F)cc3)cc2C(F)(F)F)N2CCOCC2)CC1 Show InChI InChI=1S/C29H31F4N9O4S/c1-47(44,45)41-8-6-39(7-9-41)17-19-14-24-27(40-10-12-46-13-11-40)37-26(38-42(24)18-19)22-16-34-25(15-23(22)29(31,32)33)36-28(43)35-21-4-2-20(30)3-5-21/h2-5,14-16,18H,6-13,17H2,1H3,(H2,34,35,36,43)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3Kalpha using PIP2 as substrate in presence of ATP measured after 30 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112913 BindingDB Entry DOI: 10.7270/Q2TF0228
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259737 (CHEMBL4102744) Show SMILES Cc1nc(N)nc(N2CC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C33H32N8O2/c1-22-25(21-34)30(38-33(35)36-22)40-20-17-27(40)31-37-26-15-10-12-23(11-4-2-7-16-28(42)39-18-8-9-19-39)29(26)32(43)41(31)24-13-5-3-6-14-24/h3,5-6,10,12-15,27H,2,7-9,16-20H2,1H3,(H2,35,36,38)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50551148 (CHEMBL4783332) Show SMILES NS(=O)(=O)N1CC[C@@H](CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1 |r| Show InChI	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
TBA					Assay Description Inhibition of human IDO1 expressed in HEK293T cells assessed as reduction in N-formylkynurenine production incubated for 12 hrs by microplate reader ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112059 BindingDB Entry DOI: 10.7270/Q2PN997N
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50562347 (CHEMBL4740055) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(nn3c2)-c2cnc(NC(=O)C=C)cc2C(F)(F)F)N2CCOCC2)CC1 Show InChI	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	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3Kalpha using PIP2 as substrate in presence of ATP measured after 30 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112913 BindingDB Entry DOI: 10.7270/Q2TF0228
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM330294 (Ethyl (5-(6-((4-(methylsulfonyl)piperazin-1-yl)met...) Show SMILES CCOC(=O)Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2cc(CN3CCN(CC3)S(C)(=O)=O)cn2n1)C(F)(F)F Show InChI InChI=1S/C25H31F3N8O5S/c1-3-41-24(37)30-21-13-19(25(26,27)28)18(14-29-21)22-31-23(34-8-10-40-11-9-34)20-12-17(16-36(20)32-22)15-33-4-6-35(7-5-33)42(2,38)39/h12-14,16H,3-11,15H2,1-2H3,(H,29,30,37)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3Kalpha using PIP2 as substrate in presence of ATP measured after 30 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112913 BindingDB Entry DOI: 10.7270/Q2TF0228
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50562348 (CHEMBL4784118) Show SMILES CNC(=O)Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2cc(CN3CCN(CC3)S(C)(=O)=O)cn2n1)C(F)(F)F Show InChI	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	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3Kalpha using PIP2 as substrate in presence of ATP measured after 30 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112913 BindingDB Entry DOI: 10.7270/Q2TF0228
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50457160 (CHEMBL4204119) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]ncc2c1 Show InChI InChI=1S/C17H12ClN5O2S/c18-16-15(23-26(24,25)14-4-2-1-3-5-14)7-12(8-19-16)11-6-13-10-21-22-17(13)20-9-11/h1-10,23H,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3K p110beta using PIP2/PS as substrate after 1 hr by ADP-Glo luminescence assay				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM25028 (4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of human PI3K (p110alpha/p85alpha) by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127194 BindingDB Entry DOI: 10.7270/Q20Z76VM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50457171 (CHEMBL4214320) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]ccc2c1 Show InChI InChI=1S/C18H13ClN4O2S/c19-17-16(23-26(24,25)15-4-2-1-3-5-15)9-14(10-21-17)13-8-12-6-7-20-18(12)22-11-13/h1-11,23H,(H,20,22)	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3K p110beta using PIP2/PS as substrate after 1 hr by ADP-Glo luminescence assay				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50457171 (CHEMBL4214320) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]ccc2c1 Show InChI InChI=1S/C18H13ClN4O2S/c19-17-16(23-26(24,25)15-4-2-1-3-5-15)9-14(10-21-17)13-8-12-6-7-20-18(12)22-11-13/h1-11,23H,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2/PS as...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					More data for this Ligand-Target Pair

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