Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 117   

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 alpha isoform (Homo sapiens (Human))	BDBM139715 (US8895549, Comparative Example 1 | US9675616, 1 N-...) Show SMILES COc1c(OCC(O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12 |c:35,t:19| Show InChI InChI=1S/C24H28N6O5/c1-33-21-19(35-15-17(31)14-29-9-11-34-12-10-29)5-4-18-20(21)27-24(30-8-7-26-22(18)30)28-23(32)16-3-2-6-25-13-16/h2-6,13,17,31H,7-12,14-15H2,1H3,(H,27,28,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 mL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...				US Patent US9675616 (2017) BindingDB Entry DOI: 10.7270/Q2H41PKX
					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))	BDBM179450 (US9675616, 7 2-Amino-N-(8-{[(2R)-2-hydroxy-3-{[(1S...) Show SMILES COc1c(OC[C@H](O)CN[C@@H](C)c2ccccc2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |r,c:39,t:22| Show InChI InChI=1S/C27H30N8O4/c1-16(17-6-4-3-5-7-17)30-14-19(36)15-39-21-9-8-20-22(23(21)38-2)33-27(35-11-10-29-24(20)35)34-25(37)18-12-31-26(28)32-13-18/h3-9,12-13,16,19,30,36H,10-11,14-15H2,1-2H3,(H2,28,31,32)(H,33,34,37)/t16-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 mL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...				US Patent US9675616 (2017) BindingDB Entry DOI: 10.7270/Q2H41PKX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM179449 (US9675616, 6 2-Amino-N-(8-{[(2S)-2-hydroxy-3-{[(1S...) Show SMILES COc1c(OC[C@@H](O)CN[C@@H](C)c2ccccc2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |r,c:39,t:22| Show InChI InChI=1S/C27H30N8O4/c1-16(17-6-4-3-5-7-17)30-14-19(36)15-39-21-9-8-20-22(23(21)38-2)33-27(35-11-10-29-24(20)35)34-25(37)18-12-31-26(28)32-13-18/h3-9,12-13,16,19,30,36H,10-11,14-15H2,1-2H3,(H2,28,31,32)(H,33,34,37)/t16-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...				US Patent US9675616 (2017) BindingDB Entry DOI: 10.7270/Q2H41PKX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM179448 (US9675616, 5 rel-2-Amino-N-(8-{[(2R)-2-hydroxy-3-{...) Show SMILES COc1c(OCC(O)CN[C@@H](C)c2ccccc2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |r,c:39,t:22| Show InChI InChI=1S/C27H30N8O4/c1-16(17-6-4-3-5-7-17)30-14-19(36)15-39-21-9-8-20-22(23(21)38-2)33-27(35-11-10-29-24(20)35)34-25(37)18-12-31-26(28)32-13-18/h3-9,12-13,16,19,30,36H,10-11,14-15H2,1-2H3,(H2,28,31,32)(H,33,34,37)/t16-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...				US Patent US9675616 (2017) BindingDB Entry DOI: 10.7270/Q2H41PKX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM179450 (US9675616, 7 2-Amino-N-(8-{[(2R)-2-hydroxy-3-{[(1S...) Show SMILES COc1c(OC[C@H](O)CN[C@@H](C)c2ccccc2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |r,c:39,t:22| Show InChI InChI=1S/C27H30N8O4/c1-16(17-6-4-3-5-7-17)30-14-19(36)15-39-21-9-8-20-22(23(21)38-2)33-27(35-11-10-29-24(20)35)34-25(37)18-12-31-26(28)32-13-18/h3-9,12-13,16,19,30,36H,10-11,14-15H2,1-2H3,(H2,28,31,32)(H,33,34,37)/t16-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...				US Patent US9675616 (2017) BindingDB Entry DOI: 10.7270/Q2H41PKX
					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))	BDBM179449 (US9675616, 6 2-Amino-N-(8-{[(2S)-2-hydroxy-3-{[(1S...) Show SMILES COc1c(OC[C@@H](O)CN[C@@H](C)c2ccccc2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |r,c:39,t:22| Show InChI InChI=1S/C27H30N8O4/c1-16(17-6-4-3-5-7-17)30-14-19(36)15-39-21-9-8-20-22(23(21)38-2)33-27(35-11-10-29-24(20)35)34-25(37)18-12-31-26(28)32-13-18/h3-9,12-13,16,19,30,36H,10-11,14-15H2,1-2H3,(H2,28,31,32)(H,33,34,37)/t16-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 mL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...				US Patent US9675616 (2017) BindingDB Entry DOI: 10.7270/Q2H41PKX
					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))	BDBM179448 (US9675616, 5 rel-2-Amino-N-(8-{[(2R)-2-hydroxy-3-{...) Show SMILES COc1c(OCC(O)CN[C@@H](C)c2ccccc2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |r,c:39,t:22| Show InChI InChI=1S/C27H30N8O4/c1-16(17-6-4-3-5-7-17)30-14-19(36)15-39-21-9-8-20-22(23(21)38-2)33-27(35-11-10-29-24(20)35)34-25(37)18-12-31-26(28)32-13-18/h3-9,12-13,16,19,30,36H,10-11,14-15H2,1-2H3,(H2,28,31,32)(H,33,34,37)/t16-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 mL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...				US Patent US9675616 (2017) BindingDB Entry DOI: 10.7270/Q2H41PKX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM139717 (US8895549, 2 | US9675616, 2 N-(8-{[(2R)-2-hydroxy-...) Show SMILES COc1c(OC[C@H](O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12 |r,c:35,t:19| Show InChI InChI=1S/C24H28N6O5/c1-33-21-19(35-15-17(31)14-29-9-11-34-12-10-29)5-4-18-20(21)27-24(30-8-7-26-22(18)30)28-23(32)16-3-2-6-25-13-16/h2-6,13,17,31H,7-12,14-15H2,1H3,(H,27,28,32)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...				US Patent US9675616 (2017) BindingDB Entry DOI: 10.7270/Q2H41PKX
					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))	BDBM139724 (US8895549, 4 | US9675616, 4 N-[8-({(2R)-3-[(2R,6S)...) Show SMILES COc1c(OC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12 |r,c:37,t:21| Show InChI InChI=1S/C26H32N6O5/c1-16-12-31(13-17(2)37-16)14-19(33)15-36-21-7-6-20-22(23(21)35-3)29-26(32-10-9-28-24(20)32)30-25(34)18-5-4-8-27-11-18/h4-8,11,16-17,19,33H,9-10,12-15H2,1-3H3,(H,29,30,34)/t16-,17+,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 mL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...				US Patent US9675616 (2017) BindingDB Entry DOI: 10.7270/Q2H41PKX
					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))	BDBM139721 (US8895549, 3 | US9675616, 3 N-(8-{[(2S)-2-hydroxy-...) Show SMILES COc1c(OC[C@@H](O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12 |r,c:35,t:19| Show InChI InChI=1S/C24H28N6O5/c1-33-21-19(35-15-17(31)14-29-9-11-34-12-10-29)5-4-18-20(21)27-24(30-8-7-26-22(18)30)28-23(32)16-3-2-6-25-13-16/h2-6,13,17,31H,7-12,14-15H2,1H3,(H,27,28,32)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 mL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...				US Patent US9675616 (2017) BindingDB Entry DOI: 10.7270/Q2H41PKX
					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))	BDBM139717 (US8895549, 2 | US9675616, 2 N-(8-{[(2R)-2-hydroxy-...) Show SMILES COc1c(OC[C@H](O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12 |r,c:35,t:19| Show InChI InChI=1S/C24H28N6O5/c1-33-21-19(35-15-17(31)14-29-9-11-34-12-10-29)5-4-18-20(21)27-24(30-8-7-26-22(18)30)28-23(32)16-3-2-6-25-13-16/h2-6,13,17,31H,7-12,14-15H2,1H3,(H,27,28,32)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 mL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...				US Patent US9675616 (2017) BindingDB Entry DOI: 10.7270/Q2H41PKX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM139715 (US8895549, Comparative Example 1 | US9675616, 1 N-...) Show SMILES COc1c(OCC(O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12 |c:35,t:19| Show InChI InChI=1S/C24H28N6O5/c1-33-21-19(35-15-17(31)14-29-9-11-34-12-10-29)5-4-18-20(21)27-24(30-8-7-26-22(18)30)28-23(32)16-3-2-6-25-13-16/h2-6,13,17,31H,7-12,14-15H2,1H3,(H,27,28,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>50	n/a	n/a	n/a	n/a	n/a	n/a
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...				US Patent US9675616 (2017) BindingDB Entry DOI: 10.7270/Q2H41PKX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM139721 (US8895549, 3 | US9675616, 3 N-(8-{[(2S)-2-hydroxy-...) Show SMILES COc1c(OC[C@@H](O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12 |r,c:35,t:19| Show InChI InChI=1S/C24H28N6O5/c1-33-21-19(35-15-17(31)14-29-9-11-34-12-10-29)5-4-18-20(21)27-24(30-8-7-26-22(18)30)28-23(32)16-3-2-6-25-13-16/h2-6,13,17,31H,7-12,14-15H2,1H3,(H,27,28,32)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>50	n/a	n/a	n/a	n/a	n/a	n/a
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...				US Patent US9675616 (2017) BindingDB Entry DOI: 10.7270/Q2H41PKX
					More data for this Ligand-Target Pair