Compile Data Set for Download or QSAR

Found 451 hits with Last Name = 'henne' and Initial = 'k'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50396616 (CHEMBL2171930 | US8765940, 4-(1-(7-fluoro-3-methyl...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)-c1ccnc(N)n1)-c1ccccn1 Show InChI InChI=1S/C28H24FN7/c1-16-24(21-6-4-5-10-31-21)34-22-13-18(29)7-8-19(22)25(16)36-15-28(2,3)26-23(36)12-17(14-33-26)20-9-11-32-27(30)35-20/h4-14H,15H2,1-3H3,(H2,30,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50396610 (CHEMBL2171929 | US8765940, 4-(3,3-dimethyl-6-(4-mo...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C28H28FN5O/c1-18-25(22-6-4-5-9-30-22)32-23-14-19(29)7-8-21(23)26(18)34-17-28(2,3)27-24(34)15-20(16-31-27)33-10-12-35-13-11-33/h4-9,14-16H,10-13,17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50396611 (CHEMBL2171927 | US8765940, 4-(1-(7-fluoro-3-methyl...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(cc12)-c1ccnc(N)n1)-c1ccccn1 Show InChI InChI=1S/C29H25FN6/c1-17-26(23-6-4-5-12-32-23)34-24-15-19(30)8-9-20(24)27(17)36-16-29(2,3)21-10-7-18(14-25(21)36)22-11-13-33-28(31)35-22/h4-15H,16H2,1-3H3,(H2,31,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50396614 (CHEMBL2171931 | US8765940, 1'-(7-fluoro-3-meth...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C30H30FN5O2/c1-20-27(24-4-2-3-9-32-24)34-25-16-21(31)5-6-23(25)28(20)36-19-30(7-12-37-13-8-30)29-26(36)17-22(18-33-29)35-10-14-38-15-11-35/h2-6,9,16-18H,7-8,10-15,19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50396616 (CHEMBL2171930 | US8765940, 4-(1-(7-fluoro-3-methyl...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)-c1ccnc(N)n1)-c1ccccn1 Show InChI InChI=1S/C28H24FN7/c1-16-24(21-6-4-5-10-31-21)34-22-13-18(29)7-8-19(22)25(16)36-15-28(2,3)26-23(36)12-17(14-33-26)20-9-11-32-27(30)35-20/h4-14H,15H2,1-3H3,(H2,30,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50396616 (CHEMBL2171930 | US8765940, 4-(1-(7-fluoro-3-methyl...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)-c1ccnc(N)n1)-c1ccccn1 Show InChI InChI=1S/C28H24FN7/c1-16-24(21-6-4-5-10-31-21)34-22-13-18(29)7-8-19(22)25(16)36-15-28(2,3)26-23(36)12-17(14-33-26)20-9-11-32-27(30)35-20/h4-14H,15H2,1-3H3,(H2,30,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50396610 (CHEMBL2171929 | US8765940, 4-(3,3-dimethyl-6-(4-mo...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C28H28FN5O/c1-18-25(22-6-4-5-9-30-22)32-23-14-19(29)7-8-21(23)26(18)34-17-28(2,3)27-24(34)15-20(16-31-27)33-10-12-35-13-11-33/h4-9,14-16H,10-13,17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50396614 (CHEMBL2171931 | US8765940, 1'-(7-fluoro-3-meth...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C30H30FN5O2/c1-20-27(24-4-2-3-9-32-24)34-25-16-21(31)5-6-23(25)28(20)36-19-30(7-12-37-13-8-30)29-26(36)17-22(18-33-29)35-10-14-38-15-11-35/h2-6,9,16-18H,7-8,10-15,19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50396611 (CHEMBL2171927 | US8765940, 4-(1-(7-fluoro-3-methyl...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(cc12)-c1ccnc(N)n1)-c1ccccn1 Show InChI InChI=1S/C29H25FN6/c1-17-26(23-6-4-5-12-32-23)34-24-15-19(30)8-9-20(24)27(17)36-16-29(2,3)21-10-7-18(14-25(21)36)22-11-13-33-28(31)35-22/h4-15H,16H2,1-3H3,(H2,31,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50396613 (CHEMBL2171924 | US8765940, 1-(7-fluoro-3-methyl-2-...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CS(=O)(=O)C2)c2ccc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C29H27FN4O3S/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-38(35,36)18-29)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15H,10-13,16-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50396611 (CHEMBL2171927 | US8765940, 4-(1-(7-fluoro-3-methyl...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(cc12)-c1ccnc(N)n1)-c1ccccn1 Show InChI InChI=1S/C29H25FN6/c1-17-26(23-6-4-5-12-32-23)34-24-15-19(30)8-9-20(24)27(17)36-16-29(2,3)21-10-7-18(14-25(21)36)22-11-13-33-28(31)35-22/h4-15H,16H2,1-3H3,(H2,31,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50396610 (CHEMBL2171929 | US8765940, 4-(3,3-dimethyl-6-(4-mo...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C28H28FN5O/c1-18-25(22-6-4-5-9-30-22)32-23-14-19(29)7-8-21(23)26(18)34-17-28(2,3)27-24(34)15-20(16-31-27)33-10-12-35-13-11-33/h4-9,14-16H,10-13,17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50396617 (CHEMBL2171925 | US8765940, (1-(7-fluoro-3-methyl-2...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(CO)(CO)c2ccc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C29H29FN4O3/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-35,18-36)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15,35-36H,10-13,16-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50396617 (CHEMBL2171925 | US8765940, (1-(7-fluoro-3-methyl-2...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(CO)(CO)c2ccc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C29H29FN4O3/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-35,18-36)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15,35-36H,10-13,16-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	269	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50396615 (CHEMBL2171928 | US8765940, 4-(1-(7-fluoro-3-methyl...) Show SMILES Cc1cc(nc(N)n1)-c1ccc2c(c1)N(CC2(C)C)c1c(C)c(nc2cc(F)ccc12)-c1ccccn1 Show InChI InChI=1S/C30H27FN6/c1-17-13-24(36-29(32)34-17)19-8-11-22-26(14-19)37(16-30(22,3)4)28-18(2)27(23-7-5-6-12-33-23)35-25-15-20(31)9-10-21(25)28/h5-15H,16H2,1-4H3,(H2,32,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	364	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50396613 (CHEMBL2171924 | US8765940, 1-(7-fluoro-3-methyl-2-...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CS(=O)(=O)C2)c2ccc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C29H27FN4O3S/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-38(35,36)18-29)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15H,10-13,16-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	395	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50396615 (CHEMBL2171928 | US8765940, 4-(1-(7-fluoro-3-methyl...) Show SMILES Cc1cc(nc(N)n1)-c1ccc2c(c1)N(CC2(C)C)c1c(C)c(nc2cc(F)ccc12)-c1ccccn1 Show InChI InChI=1S/C30H27FN6/c1-17-13-24(36-29(32)34-17)19-8-11-22-26(14-19)37(16-30(22,3)4)28-18(2)27(23-7-5-6-12-33-23)35-25-15-20(31)9-10-21(25)28/h5-15H,16H2,1-4H3,(H2,32,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	449	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50396614 (CHEMBL2171931 | US8765940, 1'-(7-fluoro-3-meth...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C30H30FN5O2/c1-20-27(24-4-2-3-9-32-24)34-25-16-21(31)5-6-23(25)28(20)36-19-30(7-12-37-13-8-30)29-26(36)17-22(18-33-29)35-10-14-38-15-11-35/h2-6,9,16-18H,7-8,10-15,19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	509	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50396616 (CHEMBL2171930 | US8765940, 4-(1-(7-fluoro-3-methyl...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)-c1ccnc(N)n1)-c1ccccn1 Show InChI InChI=1S/C28H24FN7/c1-16-24(21-6-4-5-10-31-21)34-22-13-18(29)7-8-19(22)25(16)36-15-28(2,3)26-23(36)12-17(14-33-26)20-9-11-32-27(30)35-20/h4-14H,15H2,1-3H3,(H2,30,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50361983 (CHEMBL1939697) Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as unbound inhibitor concentration required for half maximal enz...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50361983 (CHEMBL1939697) Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate assessed as unbound inhibitor concentration required for half maximal ...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50396610 (CHEMBL2171929 | US8765940, 4-(3,3-dimethyl-6-(4-mo...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C28H28FN5O/c1-18-25(22-6-4-5-9-30-22)32-23-14-19(29)7-8-21(23)26(18)34-17-28(2,3)27-24(34)15-20(16-31-27)33-10-12-35-13-11-33/h4-9,14-16H,10-13,17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50361983 (CHEMBL1939697) Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as residual enzyme activity after 2 to 10 mins by LC-MS/MS analy...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50361983 (CHEMBL1939697) Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate assessed as residual enzyme activity after 2 to 10 mins by LC-MS/MS an...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50396614 (CHEMBL2171931 | US8765940, 1'-(7-fluoro-3-meth...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C30H30FN5O2/c1-20-27(24-4-2-3-9-32-24)34-25-16-21(31)5-6-23(25)28(20)36-19-30(7-12-37-13-8-30)29-26(36)17-22(18-33-29)35-10-14-38-15-11-35/h2-6,9,16-18H,7-8,10-15,19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50396611 (CHEMBL2171927 | US8765940, 4-(1-(7-fluoro-3-methyl...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(cc12)-c1ccnc(N)n1)-c1ccccn1 Show InChI InChI=1S/C29H25FN6/c1-17-26(23-6-4-5-12-32-23)34-24-15-19(30)8-9-20(24)27(17)36-16-29(2,3)21-10-7-18(14-25(21)36)22-11-13-33-28(31)35-22/h4-15H,16H2,1-3H3,(H2,31,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50396613 (CHEMBL2171924 | US8765940, 1-(7-fluoro-3-methyl-2-...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CS(=O)(=O)C2)c2ccc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C29H27FN4O3S/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-38(35,36)18-29)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15H,10-13,16-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50396613 (CHEMBL2171924 | US8765940, 1-(7-fluoro-3-methyl-2-...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CS(=O)(=O)C2)c2ccc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C29H27FN4O3S/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-38(35,36)18-29)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15H,10-13,16-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50396617 (CHEMBL2171925 | US8765940, (1-(7-fluoro-3-methyl-2...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(CO)(CO)c2ccc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C29H29FN4O3/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-35,18-36)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15,35-36H,10-13,16-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50396615 (CHEMBL2171928 | US8765940, 4-(1-(7-fluoro-3-methyl...) Show SMILES Cc1cc(nc(N)n1)-c1ccc2c(c1)N(CC2(C)C)c1c(C)c(nc2cc(F)ccc12)-c1ccccn1 Show InChI InChI=1S/C30H27FN6/c1-17-13-24(36-29(32)34-17)19-8-11-22-26(14-19)37(16-30(22,3)4)28-18(2)27(23-7-5-6-12-33-23)35-25-15-20(31)9-10-21(25)28/h5-15H,16H2,1-4H3,(H2,32,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50396617 (CHEMBL2171925 | US8765940, (1-(7-fluoro-3-methyl-2...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(CO)(CO)c2ccc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C29H29FN4O3/c1-19-27(24-4-2-3-9-31-24)32-25-14-20(30)5-7-22(25)28(19)34-16-29(17-35,18-36)23-8-6-21(15-26(23)34)33-10-12-37-13-11-33/h2-9,14-15,35-36H,10-13,16-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50396615 (CHEMBL2171928 | US8765940, 4-(1-(7-fluoro-3-methyl...) Show SMILES Cc1cc(nc(N)n1)-c1ccc2c(c1)N(CC2(C)C)c1c(C)c(nc2cc(F)ccc12)-c1ccccn1 Show InChI InChI=1S/C30H27FN6/c1-17-13-24(36-29(32)34-17)19-8-11-22-26(14-19)37(16-30(22,3)4)28-18(2)27(23-7-5-6-12-33-23)35-25-15-20(31)9-10-21(25)28/h5-15H,16H2,1-4H3,(H2,32,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50064300 (CHEMBL3403664) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(c1-c1ccccc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H19FN6O2S/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(33(2,31)32)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay				Bioorg Med Chem Lett 25: 1104-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.001 BindingDB Entry DOI: 10.7270/Q2H41T39
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403099 (CHEMBL2216892) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCS(C)(=O)=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C25H24FN7O2S/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-36(2,34)35)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay				Bioorg Med Chem Lett 25: 1104-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.001 BindingDB Entry DOI: 10.7270/Q2H41T39
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50064305 (CHEMBL3403669) Show SMILES CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCO)c1-c1ccccc1 Show InChI InChI=1S/C24H22FN7O/c1-14(31-24-18(12-26)23(27)29-13-30-24)21-20(15-5-3-2-4-6-15)22(28-9-10-33)17-11-16(25)7-8-19(17)32-21/h2-8,11,13-14,33H,9-10H2,1H3,(H,28,32)(H3,27,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay				Bioorg Med Chem Lett 25: 1104-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.001 BindingDB Entry DOI: 10.7270/Q2H41T39
					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))	BDBM50557972 (CHEMBL4790186) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cc(F)cc(F)c1 |r| Show InChI	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
TBA					Assay Description Inhibition of recombinant full length N-terminal polyHis-tagged PI3K p110delta/p85alpha (unknown origin) expressed in baculovirus infected Sf9 cells ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01651 BindingDB Entry DOI: 10.7270/Q2QC076H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403099 (CHEMBL2216892) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCS(C)(=O)=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C25H24FN7O2S/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-36(2,34)35)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay				Bioorg Med Chem Lett 25: 1104-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.001 BindingDB Entry DOI: 10.7270/Q2H41T39
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50064306 (CHEMBL3403670) Show SMILES COCCNc1c(-c2ccccc2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C25H24FN7O/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-34-2)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay				Bioorg Med Chem Lett 25: 1104-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.001 BindingDB Entry DOI: 10.7270/Q2H41T39
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50064300 (CHEMBL3403664) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(c1-c1ccccc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H19FN6O2S/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(33(2,31)32)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay				Bioorg Med Chem Lett 25: 1104-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.001 BindingDB Entry DOI: 10.7270/Q2H41T39
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50229439 ((R)-N-(1-(1-(4-cyanophenyl)-4-phenyl-1H-imidazol-2...) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(cn1-c1ccc(cc1)C#N)-c1ccccc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C31H28F4N4O3S/c1-3-43(41,42)16-15-38(29(40)18-23-11-14-27(32)26(17-23)31(33,34)35)21(2)30-37-28(24-7-5-4-6-8-24)20-39(30)25-12-9-22(19-36)10-13-25/h4-14,17,20-21H,3,15-16,18H2,1-2H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC				Bioorg Med Chem Lett 19: 5200-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.021 BindingDB Entry DOI: 10.7270/Q2W95980
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50064301 (CHEMBL3403665) Show SMILES COc1c(-c2ccccc2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C23H19FN6O/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(31-2)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay				Bioorg Med Chem Lett 25: 1104-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.001 BindingDB Entry DOI: 10.7270/Q2H41T39
					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))	BDBM50557974 (CHEMBL4762294) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cccc(F)c1 |r| Show InChI	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal polyHis-tagged PI3K p110delta/p85alpha (unknown origin) expressed in baculovirus infected Sf9 cells ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01651 BindingDB Entry DOI: 10.7270/Q2QC076H
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50300907 (CHEMBL576097 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...) Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1 |r| Show InChI InChI=1S/C33H31F4N5O3S/c1-20(29-31(25-5-2-21(18-38)3-6-25)41-13-12-39-30(24-7-8-24)32(41)40-29)42(19-22-10-14-46(44,45)15-11-22)28(43)17-23-4-9-27(34)26(16-23)33(35,36)37/h2-6,9,12-13,16,20,22,24H,7-8,10-11,14-15,17,19H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC				Bioorg Med Chem Lett 19: 5200-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.021 BindingDB Entry DOI: 10.7270/Q2W95980
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50300899 ((R)-N-(1-(3-(4-cyanophenyl)-8-cyclopropylimidazo[1...) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1)C(=O)Cc1ccc(c(F)c1)C(F)(F)F |r| Show InChI InChI=1S/C31H29F4N5O3S/c1-3-44(42,43)15-14-39(26(41)17-21-6-11-24(25(32)16-21)31(33,34)35)19(2)27-29(23-7-4-20(18-36)5-8-23)40-13-12-37-28(22-9-10-22)30(40)38-27/h4-8,11-13,16,19,22H,3,9-10,14-15,17H2,1-2H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC				Bioorg Med Chem Lett 19: 5200-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.021 BindingDB Entry DOI: 10.7270/Q2W95980
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50300905 (CHEMBL578192 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...) Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1 |r| Show InChI InChI=1S/C33H31F4N5O3S/c1-20(29-31(25-5-2-21(18-38)3-6-25)41-13-12-39-30(24-7-8-24)32(41)40-29)42(19-22-10-14-46(44,45)15-11-22)28(43)17-23-4-9-26(27(34)16-23)33(35,36)37/h2-6,9,12-13,16,20,22,24H,7-8,10-11,14-15,17,19H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC				Bioorg Med Chem Lett 19: 5200-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.021 BindingDB Entry DOI: 10.7270/Q2W95980
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50300900 ((R)-N-(1-(3-(4-cyanophenyl)-8-methoxyimidazo[1,2-a...) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2c(OC)nccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F |r| Show InChI InChI=1S/C29H27F4N5O4S/c1-4-43(40,41)14-13-37(24(39)16-20-7-10-22(23(30)15-20)29(31,32)33)18(2)25-26(21-8-5-19(17-34)6-9-21)38-12-11-35-28(42-3)27(38)36-25/h5-12,15,18H,4,13-14,16H2,1-3H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC				Bioorg Med Chem Lett 19: 5200-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.021 BindingDB Entry DOI: 10.7270/Q2W95980
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50300902 ((R)-N-(1-(3-(4-cyanophenyl)-8-ethylimidazo[1,2-a]p...) Show SMILES CCc1nccn2c(c(nc12)[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C30H29F4N5O3S/c1-4-25-29-37-27(28(39(29)13-12-36-25)22-9-6-20(18-35)7-10-22)19(3)38(14-15-43(41,42)5-2)26(40)17-21-8-11-23(24(31)16-21)30(32,33)34/h6-13,16,19H,4-5,14-15,17H2,1-3H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC				Bioorg Med Chem Lett 19: 5200-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.021 BindingDB Entry DOI: 10.7270/Q2W95980
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50300906 (CHEMBL576096 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...) Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1 |r| Show InChI InChI=1S/C33H32F3N5O4S/c1-21(29-31(26-6-2-23(19-37)3-7-26)40-15-14-38-30(25-8-9-25)32(40)39-29)41(20-24-12-16-46(43,44)17-13-24)28(42)18-22-4-10-27(11-5-22)45-33(34,35)36/h2-7,10-11,14-15,21,24-25H,8-9,12-13,16-18,20H2,1H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC				Bioorg Med Chem Lett 19: 5200-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.021 BindingDB Entry DOI: 10.7270/Q2W95980
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50300909 (CHEMBL576099 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...) Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1cccc(OC(F)(F)F)c1)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1 |r| Show InChI InChI=1S/C33H32F3N5O4S/c1-21(29-31(26-7-5-22(19-37)6-8-26)40-14-13-38-30(25-9-10-25)32(40)39-29)41(20-23-11-15-46(43,44)16-12-23)28(42)18-24-3-2-4-27(17-24)45-33(34,35)36/h2-8,13-14,17,21,23,25H,9-12,15-16,18,20H2,1H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC				Bioorg Med Chem Lett 19: 5200-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.021 BindingDB Entry DOI: 10.7270/Q2W95980
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50064296 (CHEMBL3403676) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CCOCC2)c1-c1ccccn1 |r| Show InChI InChI=1S/C25H23FN8O/c1-15(32-25-18(13-27)24(28)30-14-31-25)22-21(20-4-2-3-7-29-20)23(34-8-10-35-11-9-34)17-12-16(26)5-6-19(17)33-22/h2-7,12,14-15H,8-11H2,1H3,(H3,28,30,31,32)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay				Bioorg Med Chem Lett 25: 1104-9 (2015) Article DOI: 10.1016/j.bmcl.2015.01.001 BindingDB Entry DOI: 10.7270/Q2H41T39
					More data for this Ligand-Target Pair

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