Compile Data Set for Download or QSAR

Found 753 hits with Last Name = 'nikitidis' and Initial = 'a'   

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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50203422 (CHEMBL3937635) Show SMILES COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C1CC1 |r| Show InChI InChI=1S/C26H25FN4O3/c1-16(30-26(32)17-3-4-17)25(18-5-12-24(33-2)28-14-18)34-22-10-11-23-19(13-22)15-29-31(23)21-8-6-20(27)7-9-21/h5-17,25H,3-4H2,1-2H3,(H,30,32)/t16-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223288 ((1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-...) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C21H20F5N3O4/c1-20(2,23)9-29(14-6-10(21(24,25)26)4-5-13(14)22)15-8-27-16(18(28-15)33-3)17(30)11-7-12(11)19(31)32/h4-6,8,11-12H,7,9H2,1-3H3,(H,31,32)/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.248	n/a	n/a	n/a	n/a	7.5	n/a
Astrazeneca Ab US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester. In order to obtain IC50-v...				US Patent US20160326143 (2016) BindingDB Entry DOI: 10.7270/Q2W66JN5
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223288 ((1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-...) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C21H20F5N3O4/c1-20(2,23)9-29(14-6-10(21(24,25)26)4-5-13(14)22)15-8-27-16(18(28-15)33-3)17(30)11-7-12(11)19(31)32/h4-6,8,11-12H,7,9H2,1-3H3,(H,31,32)/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.248	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester.In order to obtain IC50-va...				US Patent US9657001 (2017) BindingDB Entry DOI: 10.7270/Q2SJ1NPG
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223288 ((1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-...) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C21H20F5N3O4/c1-20(2,23)9-29(14-6-10(21(24,25)26)4-5-13(14)22)15-8-27-16(18(28-15)33-3)17(30)11-7-12(11)19(31)32/h4-6,8,11-12H,7,9H2,1-3H3,(H,31,32)/t11-,12-/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	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519568 (CHEMBL4549822) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(Cl)c(F)cc1F |r| Show InChI InChI=1S/C20H20ClF2N3O4/c1-9(2)8-26(15-5-12(21)13(22)6-14(15)23)16-7-24-17(19(25-16)30-3)18(27)10-4-11(10)20(28)29/h5-7,9-11H,4,8H2,1-3H3,(H,28,29)/t10-,11-/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	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223287 ((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F Show InChI InChI=1S/C20H19ClF3N3O4/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30/h5-7,9-10H,4,8H2,1-3H3,(H,29,30)/t9-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223287 ((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F Show InChI InChI=1S/C20H19ClF3N3O4/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30/h5-7,9-10H,4,8H2,1-3H3,(H,29,30)/t9-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.289	n/a	n/a	n/a	n/a	7.5	n/a
Astrazeneca Ab US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester. In order to obtain IC50-v...				US Patent US20160326143 (2016) BindingDB Entry DOI: 10.7270/Q2W66JN5
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223287 ((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F Show InChI InChI=1S/C20H19ClF3N3O4/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30/h5-7,9-10H,4,8H2,1-3H3,(H,29,30)/t9-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.289	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester.In order to obtain IC50-va...				US Patent US9657001 (2017) BindingDB Entry DOI: 10.7270/Q2SJ1NPG
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489245 (N-{6-[(5-{2-[(1S)-1-Cyclopropylethyl]-7-(methylsul...) Show SMILES CCN(C(=O)COC)c1cccc(Nc2nc(C)c(s2)-c2cc3CN([C@@H](C)C4CC4)C(=O)c3c(c2)S(=O)(=O)NC)n1 |r| Show InChI InChI=1S/C28H34N6O5S2/c1-6-33(24(35)15-39-5)23-9-7-8-22(31-23)32-28-30-16(2)26(40-28)19-12-20-14-34(17(3)18-10-11-18)27(36)25(20)21(13-19)41(37,38)29-4/h7-9,12-13,17-18,29H,6,10-11,14-15H2,1-5H3,(H,30,31,32)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...				US Patent US10961236 (2021) BindingDB Entry DOI: 10.7270/Q2M90CS5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489244 (N-{6-[(5-{2-[(1S)-1-Cyclopropylethyl]-7-(methylsul...) Show SMILES CCOCC(=O)N(C)c1cccc(Nc2nc(C)c(s2)-c2cc3CN([C@@H](C)C4CC4)C(=O)c3c(c2)S(=O)(=O)NC)n1 |r| Show InChI InChI=1S/C28H34N6O5S2/c1-6-39-15-24(35)33(5)23-9-7-8-22(31-23)32-28-30-16(2)26(40-28)19-12-20-14-34(17(3)18-10-11-18)27(36)25(20)21(13-19)41(37,38)29-4/h7-9,12-13,17-18,29H,6,10-11,14-15H2,1-5H3,(H,30,31,32)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...				US Patent US10961236 (2021) BindingDB Entry DOI: 10.7270/Q2M90CS5
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457410 (CHEMBL4213191) Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C27H26F3N3O2/c1-17(2)24(32-26(34)27(3,29)30)25(18-7-5-4-6-8-18)35-22-13-14-23-19(15-22)16-31-33(23)21-11-9-20(28)10-12-21/h4-17,24-25H,1-3H3,(H,32,34)/t24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.340	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519570 (CHEMBL4567083) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(ccc1F)C(F)(F)F |r| Show InChI InChI=1S/C21H21F4N3O4/c1-10(2)9-28(15-6-11(21(23,24)25)4-5-14(15)22)16-8-26-17(19(27-16)32-3)18(29)12-7-13(12)20(30)31/h4-6,8,10,12-13H,7,9H2,1-3H3,(H,30,31)/t12-,13-/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	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519585 (CHEMBL4464773) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1ccc(F)c2ccccc12 |r| Show InChI InChI=1S/C25H25FN2O4/c1-14(2)13-28(21-9-8-20(26)16-6-4-5-7-17(16)21)15-10-22(32-3)23(27-12-15)24(29)18-11-19(18)25(30)31/h4-10,12,14,18-19H,11,13H2,1-3H3,(H,30,31)/t18-,19-/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	0.381	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489251 (2-[(1S)-1-Cyclopropylethyl]-6-(2-{[6-(1,1-dioxido-...) Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCCS2(=O)=O)nc1C |r| Show InChI InChI=1S/C26H30N6O5S3/c1-15-24(38-26(28-15)30-21-6-4-7-22(29-21)32-10-5-11-39(32,34)35)18-12-19-14-31(16(2)17-8-9-17)25(33)23(19)20(13-18)40(36,37)27-3/h4,6-7,12-13,16-17,27H,5,8-11,14H2,1-3H3,(H,28,29,30)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...				US Patent US10961236 (2021) BindingDB Entry DOI: 10.7270/Q2M90CS5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489241 (N-{6-[(5-{2-[(1S)-1-Cyclopropylethyl]-7-(methylsul...) Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N(C)C(=O)COC)nc1C |r| Show InChI InChI=1S/C27H32N6O5S2/c1-15-25(39-27(29-15)31-21-7-6-8-22(30-21)32(4)23(34)14-38-5)18-11-19-13-33(16(2)17-9-10-17)26(35)24(19)20(12-18)40(36,37)28-3/h6-8,11-12,16-17,28H,9-10,13-14H2,1-5H3,(H,29,30,31)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...				US Patent US10961236 (2021) BindingDB Entry DOI: 10.7270/Q2M90CS5
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457406 (CHEMBL4208262) Show SMILES CC(C)[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H23F4N3O2/c1-16(2)23(32-25(34)26(28,29)30)24(17-6-4-3-5-7-17)35-21-12-13-22-18(14-21)15-31-33(22)20-10-8-19(27)9-11-20/h3-16,23-24H,1-2H3,(H,32,34)/t23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.420	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM310035 ((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(propy...) Show SMILES CCCN(c1cnc(C(=O)C2C[C@@H]2C(O)=O)c(OC)n1)c1cc(Cl)c(F)cc1F |r| Show InChI InChI=1S/C19H18ClF2N3O4/c1-3-4-25(14-6-11(20)12(21)7-13(14)22)15-8-23-16(18(24-15)29-2)17(26)9-5-10(9)19(27)28/h6-10H,3-5H2,1-2H3,(H,27,28)/t9?,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.483	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester.In order to obtain IC50-va...				US Patent US9657001 (2017) BindingDB Entry DOI: 10.7270/Q2SJ1NPG
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223289 ((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(propy...) Show SMILES CCCN(c1cnc(C(=O)[C@H]2C[C@@H]2C(O)=O)c(OC)n1)c1cc(Cl)c(F)cc1F Show InChI InChI=1S/C19H18ClF2N3O4/c1-3-4-25(14-6-11(20)12(21)7-13(14)22)15-8-23-16(18(24-15)29-2)17(26)9-5-10(9)19(27)28/h6-10H,3-5H2,1-2H3,(H,27,28)/t9-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.483	n/a	n/a	n/a	n/a	7.5	n/a
Astrazeneca Ab US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester. In order to obtain IC50-v...				US Patent US20160326143 (2016) BindingDB Entry DOI: 10.7270/Q2W66JN5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489257 (6-(4-Methyl-2-{[6-(2-oxoimidazolidin-1-yl)pyridin-...) Show SMILES CC(C)NS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCNC2=O)nc1C |r| Show InChI InChI=1S/C26H28F3N7O4S2/c1-13(2)34-42(39,40)18-11-16(10-17-12-36(23(37)21(17)18)15(4)26(27,28)29)22-14(3)31-24(41-22)33-19-6-5-7-20(32-19)35-9-8-30-25(35)38/h5-7,10-11,13,15,34H,8-9,12H2,1-4H3,(H,30,38)(H,31,32,33)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...				US Patent US10961236 (2021) BindingDB Entry DOI: 10.7270/Q2M90CS5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489256 (6-(4-Methyl-2-{[6-(2-oxo-1,3-oxazinan-3-yl)pyridin...) Show SMILES CC(C)NS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCCOC2=O)nc1C |r| Show InChI InChI=1S/C27H29F3N6O5S2/c1-14(2)34-43(39,40)19-12-17(11-18-13-36(24(37)22(18)19)16(4)27(28,29)30)23-15(3)31-25(42-23)33-20-7-5-8-21(32-20)35-9-6-10-41-26(35)38/h5,7-8,11-12,14,16,34H,6,9-10,13H2,1-4H3,(H,31,32,33)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...				US Patent US10961236 (2021) BindingDB Entry DOI: 10.7270/Q2M90CS5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489287 (6-[2-({6-[(3S)-3-Hydroxy-2-oxopyrrolidin-1-yl]pyri...) Show SMILES CC(C)NS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1sc(Nc2cccc(n2)N2CC[C@H](O)C2=O)nc1C |r| Show InChI InChI=1S/C27H29F3N6O5S2/c1-13(2)34-43(40,41)19-11-16(10-17-12-36(25(39)22(17)19)15(4)27(28,29)30)23-14(3)31-26(42-23)33-20-6-5-7-21(32-20)35-9-8-18(37)24(35)38/h5-7,10-11,13,15,18,34,37H,8-9,12H2,1-4H3,(H,31,32,33)/t15-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...				US Patent US10961236 (2021) BindingDB Entry DOI: 10.7270/Q2M90CS5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489281 (2-[(1S)-1-Cyclopropylethyl]-6-[2-({6-[(3R)-3-hydro...) Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CC[C@@H](O)C2=O)nc1C |r| Show InChI InChI=1S/C27H30N6O5S2/c1-14-24(39-27(29-14)31-21-5-4-6-22(30-21)32-10-9-19(34)25(32)35)17-11-18-13-33(15(2)16-7-8-16)26(36)23(18)20(12-17)40(37,38)28-3/h4-6,11-12,15-16,19,28,34H,7-10,13H2,1-3H3,(H,29,30,31)/t15-,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...				US Patent US10961236 (2021) BindingDB Entry DOI: 10.7270/Q2M90CS5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489261 (2-[(1S)-1-Cyclopropylethyl]-6-(4-methyl-2-{[6-(2-o...) Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1COC1)-c1sc(Nc2cccc(n2)N2CCNC2=O)nc1C |r| Show InChI InChI=1S/C28H31N7O5S2/c1-15-25(41-27(30-15)32-22-4-3-5-23(31-22)34-9-8-29-28(34)37)18-10-19-12-35(16(2)17-6-7-17)26(36)24(19)21(11-18)42(38,39)33-20-13-40-14-20/h3-5,10-11,16-17,20,33H,6-9,12-14H2,1-2H3,(H,29,37)(H,30,31,32)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...				US Patent US10961236 (2021) BindingDB Entry DOI: 10.7270/Q2M90CS5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489283 (2-[(1S)-1-Cyclopropylethyl]-6-[2-({6-[(3S)-3-hydro...) Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CC[C@H](O)C2=O)nc1C |r| Show InChI InChI=1S/C27H30N6O5S2/c1-14-24(39-27(29-14)31-21-5-4-6-22(30-21)32-10-9-19(34)25(32)35)17-11-18-13-33(15(2)16-7-8-16)26(36)23(18)20(12-17)40(37,38)28-3/h4-6,11-12,15-16,19,28,34H,7-10,13H2,1-3H3,(H,29,30,31)/t15-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...				US Patent US10961236 (2021) BindingDB Entry DOI: 10.7270/Q2M90CS5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489253 (N-{6-[(5-{2-[(1S)-1-Cyclopropylethyl]-7-(ethylsulf...) Show SMILES CCNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N(C)C(=O)COC)nc1C |r| Show InChI InChI=1S/C28H34N6O5S2/c1-6-29-41(37,38)21-13-19(12-20-14-34(27(36)25(20)21)17(3)18-10-11-18)26-16(2)30-28(40-26)32-22-8-7-9-23(31-22)33(4)24(35)15-39-5/h7-9,12-13,17-18,29H,6,10-11,14-15H2,1-5H3,(H,30,31,32)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...				US Patent US10961236 (2021) BindingDB Entry DOI: 10.7270/Q2M90CS5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489281 (2-[(1S)-1-Cyclopropylethyl]-6-[2-({6-[(3R)-3-hydro...) Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CC[C@@H](O)C2=O)nc1C |r| Show InChI InChI=1S/C27H30N6O5S2/c1-14-24(39-27(29-14)31-21-5-4-6-22(30-21)32-10-9-19(34)25(32)35)17-11-18-13-33(15(2)16-7-8-16)26(36)23(18)20(12-17)40(37,38)28-3/h4-6,11-12,15-16,19,28,34H,7-10,13H2,1-3H3,(H,29,30,31)/t15-,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human PI3Kdelta assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by su...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00434 BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50579665 (CHEMBL5082066) Show SMILES C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCCCCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r| 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	0.501	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human PI3Kdelta assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by su...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00434 BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50579666 (CHEMBL5081964) Show SMILES C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCN(C)CCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r| 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	0.501	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human PI3Kdelta assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by su...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00434 BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457403 (CHEMBL4208798) Show SMILES COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@@H](NC(=O)C(C)(F)F)C(C)C |r| Show InChI InChI=1S/C27H27F3N4O3/c1-16(2)24(33-26(35)27(3,29)30)25(17-5-12-23(36-4)31-14-17)37-21-10-11-22-18(13-21)15-32-34(22)20-8-6-19(28)7-9-20/h5-16,24-25H,1-4H3,(H,33,35)/t24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519591 (CHEMBL4562583) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F |r| Show InChI InChI=1S/C21H20ClF3N2O4/c1-21(2,25)9-27(16-6-13(22)14(23)7-15(16)24)10-4-17(31-3)18(26-8-10)19(28)11-5-12(11)20(29)30/h4,6-8,11-12H,5,9H2,1-3H3,(H,29,30)/t11-,12-/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489264 (6-(4-Methyl-2-{[6-(2-oxopyrrolidin-1-yl)pyridin-2-...) Show SMILES C[C@H](N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1COC1)-c1sc(Nc2cccc(n2)N2CCCC2=O)nc1C)C(F)(F)F |r| Show InChI InChI=1S/C27H27F3N6O5S2/c1-14-24(42-26(31-14)33-20-5-3-6-21(32-20)35-8-4-7-22(35)37)16-9-17-11-36(15(2)27(28,29)30)25(38)23(17)19(10-16)43(39,40)34-18-12-41-13-18/h3,5-6,9-10,15,18,34H,4,7-8,11-13H2,1-2H3,(H,31,32,33)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...				US Patent US10961236 (2021) BindingDB Entry DOI: 10.7270/Q2M90CS5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489248 (2-[(1S)-1-Cyclopropylethyl]-N-methyl-6-(4-methyl-2...) Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCCOC2=O)nc1C |r| Show InChI InChI=1S/C27H30N6O5S2/c1-15-24(39-26(29-15)31-21-6-4-7-22(30-21)32-10-5-11-38-27(32)35)18-12-19-14-33(16(2)17-8-9-17)25(34)23(19)20(13-18)40(36,37)28-3/h4,6-7,12-13,16-17,28H,5,8-11,14H2,1-3H3,(H,29,30,31)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...				US Patent US10961236 (2021) BindingDB Entry DOI: 10.7270/Q2M90CS5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489237 (5-(4-Methyl-2-{[6-(2-oxopyrrolidin-1-yl)pyridin-2-...) Show SMILES C[C@H](N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCCC2=O)nc1C)C(F)(F)F |r| Show InChI InChI=1S/C25H24F3N5O4S2/c1-13-22(38-24(29-13)31-18-6-4-7-19(30-18)32-9-5-8-20(32)34)15-10-16-12-33(14(2)25(26,27)28)23(35)21(16)17(11-15)39(3,36)37/h4,6-7,10-11,14H,5,8-9,12H2,1-3H3,(H,29,30,31)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...				US Patent US10961236 (2021) BindingDB Entry DOI: 10.7270/Q2M90CS5
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519574 (CHEMBL4563433) Show SMILES CCCN(c1cnc(C(=O)[C@H]2C[C@@H]2C(O)=O)c(OC)c1)c1ccc(F)c2ccccc12 |r| Show InChI InChI=1S/C24H23FN2O4/c1-3-10-27(20-9-8-19(25)15-6-4-5-7-16(15)20)14-11-21(31-2)22(26-13-14)23(28)17-12-18(17)24(29)30/h4-9,11,13,17-18H,3,10,12H2,1-2H3,(H,29,30)/t17-,18-/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	0.626	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519588 (CHEMBL4584584) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(ccc1F)C(F)(F)F |r| Show InChI InChI=1S/C22H21F5N2O4/c1-21(2,24)10-29(16-6-11(22(25,26)27)4-5-15(16)23)12-7-17(33-3)18(28-9-12)19(30)13-8-14(13)20(31)32/h4-7,9,13-14H,8,10H2,1-3H3,(H,31,32)/t13-,14-/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	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50579667 (CHEMBL5090799) Show SMILES C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCN(C)CCCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r| 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	0.631	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human PI3Kdelta assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by su...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00434 BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50579668 (CHEMBL5091438) Show SMILES C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCOCCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r| 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	0.631	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human PI3Kdelta assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by su...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00434 BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489261 (2-[(1S)-1-Cyclopropylethyl]-6-(4-methyl-2-{[6-(2-o...) Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1COC1)-c1sc(Nc2cccc(n2)N2CCNC2=O)nc1C |r| Show InChI InChI=1S/C28H31N7O5S2/c1-15-25(41-27(30-15)32-22-4-3-5-23(31-22)34-9-8-29-28(34)37)18-10-19-12-35(16(2)17-6-7-17)26(36)24(19)21(11-18)42(38,39)33-20-13-40-14-20/h3-5,10-11,16-17,20,33H,6-9,12-14H2,1-2H3,(H,29,37)(H,30,31,32)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human PI3Kdelta assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by su...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00434 BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489247 (2-[(1S)-1-Cyclopropylethyl]-N-methyl-6-(4-methyl-2...) Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCOCC2=O)nc1C |r| Show InChI InChI=1S/C27H30N6O5S2/c1-15-25(39-27(29-15)31-21-5-4-6-22(30-21)32-9-10-38-14-23(32)34)18-11-19-13-33(16(2)17-7-8-17)26(35)24(19)20(12-18)40(36,37)28-3/h4-6,11-12,16-17,28H,7-10,13-14H2,1-3H3,(H,29,30,31)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human PI3Kdelta assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by su...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00434 BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489248 (2-[(1S)-1-Cyclopropylethyl]-N-methyl-6-(4-methyl-2...) Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCCOC2=O)nc1C |r| Show InChI InChI=1S/C27H30N6O5S2/c1-15-24(39-26(29-15)31-21-6-4-7-22(30-21)32-10-5-11-38-27(32)35)18-12-19-14-33(16(2)17-8-9-17)25(34)23(19)20(13-18)40(36,37)28-3/h4,6-7,12-13,16-17,28H,5,8-11,14H2,1-3H3,(H,29,30,31)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human PI3Kdelta assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by su...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00434 BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50579671 (CHEMBL5090959) Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)-c2ocnc2CO)nc1C |r| 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	0.631	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human PI3Kgamma assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by su...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00434 BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50512861 (CHEMBL4558527) Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCCC2=O)nc1C |r| Show InChI InChI=1S/C27H29N5O4S2/c1-15-25(37-27(28-15)30-21-6-4-7-22(29-21)31-11-5-8-23(31)33)18-12-19-14-32(16(2)17-9-10-17)26(34)24(19)20(13-18)38(3,35)36/h4,6-7,12-13,16-17H,5,8-11,14H2,1-3H3,(H,28,29,30)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human PI3Kdelta assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by su...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00434 BindingDB Entry DOI: 10.7270/Q24Q7ZVJ
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223290 ((1S,2S)-2-[(5-{[2-Fluoro-5-(trifluoromethyl)phenyl...) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C22H22F4N2O4/c1-11(2)10-28(17-6-12(22(24,25)26)4-5-16(17)23)13-7-18(32-3)19(27-9-13)20(29)14-8-15(14)21(30)31/h4-7,9,11,14-15H,8,10H2,1-3H3,(H,30,31)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.658	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester.In order to obtain IC50-va...				US Patent US9657001 (2017) BindingDB Entry DOI: 10.7270/Q2SJ1NPG
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223290 ((1S,2S)-2-[(5-{[2-Fluoro-5-(trifluoromethyl)phenyl...) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C22H22F4N2O4/c1-11(2)10-28(17-6-12(22(24,25)26)4-5-16(17)23)13-7-18(32-3)19(27-9-13)20(29)14-8-15(14)21(30)31/h4-7,9,11,14-15H,8,10H2,1-3H3,(H,30,31)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.658	n/a	n/a	n/a	n/a	7.5	n/a
Astrazeneca Ab US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester. In order to obtain IC50-v...				US Patent US20160326143 (2016) BindingDB Entry DOI: 10.7270/Q2W66JN5
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223290 ((1S,2S)-2-[(5-{[2-Fluoro-5-(trifluoromethyl)phenyl...) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C22H22F4N2O4/c1-11(2)10-28(17-6-12(22(24,25)26)4-5-16(17)23)13-7-18(32-3)19(27-9-13)20(29)14-8-15(14)21(30)31/h4-7,9,11,14-15H,8,10H2,1-3H3,(H,30,31)/t14-,15-/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	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM140009 (US8901310, Example 1 ) Show SMILES Cc1ncccc1NC(=O)c1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C29H29F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489275 (2-[(1S)-1-Cyclopropylethyl]-6-(2-{[6-(5,5-dimethyl...) Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CC(C)(C)NCC2=O)nc1C |r| Show InChI InChI=1S/C29H35N7O4S2/c1-16-26(41-28(32-16)34-22-7-6-8-23(33-22)36-15-29(3,4)31-13-24(36)37)19-11-20-14-35(17(2)18-9-10-18)27(38)25(20)21(12-19)42(39,40)30-5/h6-8,11-12,17-18,30-31H,9-10,13-15H2,1-5H3,(H,32,33,34)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...				US Patent US10961236 (2021) BindingDB Entry DOI: 10.7270/Q2M90CS5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489280 (2-[(1S)-1-Cyclopropylethyl]-N-methyl-6-(4-methyl-2...) Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCNCCC2=O)nc1C |r| Show InChI InChI=1S/C28H33N7O4S2/c1-16-26(40-28(31-16)33-22-5-4-6-23(32-22)34-12-11-30-10-9-24(34)36)19-13-20-15-35(17(2)18-7-8-18)27(37)25(20)21(14-19)41(38,39)29-3/h4-6,13-14,17-18,29-30H,7-12,15H2,1-3H3,(H,31,32,33)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...				US Patent US10961236 (2021) BindingDB Entry DOI: 10.7270/Q2M90CS5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489284 (2-[(1S)-1-Cyclopropylethyl]-6-[2-({6-[(2S)-2-(hydr...) Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2[C@H](CO)CCC2=O)nc1C |r| Show InChI InChI=1S/C28H32N6O5S2/c1-15-26(40-28(30-15)32-22-5-4-6-23(31-22)34-20(14-35)9-10-24(34)36)18-11-19-13-33(16(2)17-7-8-17)27(37)25(19)21(12-18)41(38,39)29-3/h4-6,11-12,16-17,20,29,35H,7-10,13-14H2,1-3H3,(H,30,31,32)/t16-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...				US Patent US10961236 (2021) BindingDB Entry DOI: 10.7270/Q2M90CS5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM489286 (2-[(1S)-1-Cyclopropylethyl]-6-[2-({6-[4-(2-hydroxy...) Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCN(CCO)CC2=O)nc1C |r| Show InChI InChI=1S/C29H35N7O5S2/c1-17-27(20-13-21-15-36(18(2)19-7-8-19)28(39)26(21)22(14-20)43(40,41)30-3)42-29(31-17)33-23-5-4-6-24(32-23)35-10-9-34(11-12-37)16-25(35)38/h4-6,13-14,18-19,30,37H,7-12,15-16H2,1-3H3,(H,31,32,33)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The activity of recombinant human PI3Kγ ((aa144-1102)-6His) and PI3Kα, β, δ (6-His(p110-p85α)) was determined by measuring t...				US Patent US10961236 (2021) BindingDB Entry DOI: 10.7270/Q2M90CS5
					More data for this Ligand-Target Pair

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