Compile Data Set for Download or QSAR

Found 435 hits with Last Name = 'mcelligott' and Initial = 'dl'   

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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27700 (3,5-dimethyl-4,5,7-triazatricyclo[7.4.0.0^{2,6}]tr...) Show SMILES Cc1nn(C)c2[nH]c(=O)c3CCCCc3c12 Show InChI InChI=1S/C12H15N3O/c1-7-10-8-5-3-4-6-9(8)12(16)13-11(10)15(2)14-7/h3-6H2,1-2H3,(H,13,16)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	8.0	23
Deltagen Research Laboratories					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP-1 enzyme assay was carried out in reaction mixture consisting of Escherichia coli str...				Bioorg Med Chem Lett 18: 5126-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.091 BindingDB Entry DOI: 10.7270/Q29S1PCX
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27685 (2-{4-[(dimethylamino)methyl]phenyl}-3,10-diazatric...) Show SMILES CN(C)Cc1ccc(cc1)-c1[nH]c2cccc3C(=O)NCCc1c23 Show InChI InChI=1S/C20H21N3O/c1-23(2)12-13-6-8-14(9-7-13)19-15-10-11-21-20(24)16-4-3-5-17(22-19)18(15)16/h3-9,22H,10-12H2,1-2H3,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	8.0	23
Deltagen Research Laboratories					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP-1 enzyme assay was carried out in reaction mixture consisting of Escherichia coli str...				Bioorg Med Chem Lett 18: 5126-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.091 BindingDB Entry DOI: 10.7270/Q29S1PCX
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27702 (5-methyl-3-(thiophen-2-yl)-4,5,7-triazatricyclo[7....) Show SMILES Cn1nc(-c2cccs2)c2c3CCCCc3c(=O)[nH]c12 Show InChI InChI=1S/C15H15N3OS/c1-18-14-12(13(17-18)11-7-4-8-20-11)9-5-2-3-6-10(9)15(19)16-14/h4,7-8H,2-3,5-6H2,1H3,(H,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	8.0	23
Deltagen Research Laboratories					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP-1 enzyme assay was carried out in reaction mixture consisting of Escherichia coli str...				Bioorg Med Chem Lett 18: 5126-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.091 BindingDB Entry DOI: 10.7270/Q29S1PCX
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27701 (5-methyl-3-phenyl-4,5,7-triazatricyclo[7.4.0.0^{2,...) Show SMILES Cn1nc(-c2ccccc2)c2c3CCCCc3c(=O)[nH]c12 Show InChI InChI=1S/C17H17N3O/c1-20-16-14(15(19-20)11-7-3-2-4-8-11)12-9-5-6-10-13(12)17(21)18-16/h2-4,7-8H,5-6,9-10H2,1H3,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	8.0	23
Deltagen Research Laboratories					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP-1 enzyme assay was carried out in reaction mixture consisting of Escherichia coli str...				Bioorg Med Chem Lett 18: 5126-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.091 BindingDB Entry DOI: 10.7270/Q29S1PCX
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27497 (2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridi...) Show SMILES CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1 Show InChI InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	8.0	23
Deltagen Research Laboratories					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP-1 enzyme assay was carried out in reaction mixture consisting of Escherichia coli str...				Bioorg Med Chem Lett 18: 5126-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.091 BindingDB Entry DOI: 10.7270/Q29S1PCX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27694 (3,5-dimethyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]do...) Show SMILES Cc1nn(C)c2[nH]c(=O)c3CCCc3c12 Show InChI InChI=1S/C11H13N3O/c1-6-9-7-4-3-5-8(7)11(15)12-10(9)14(2)13-6/h3-5H2,1-2H3,(H,12,15)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29.8	n/a	n/a	n/a	n/a	8.0	23
Deltagen Research Laboratories					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP-1 enzyme assay was carried out in reaction mixture consisting of Escherichia coli str...				Bioorg Med Chem Lett 18: 5126-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.091 BindingDB Entry DOI: 10.7270/Q29S1PCX
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27684 (2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxam...) Show SMILES COc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C15H13N3O2/c1-20-10-7-5-9(6-8-10)15-17-12-4-2-3-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	8.0	23
Deltagen Research Laboratories					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP-1 enzyme assay was carried out in reaction mixture consisting of Escherichia coli str...				Bioorg Med Chem Lett 18: 5126-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.091 BindingDB Entry DOI: 10.7270/Q29S1PCX
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27689 (3,5-dimethyl-11-thia-4,5,7-triazatricyclo[7.3.0.0^...) Show SMILES Cc1nn(C)c2[nH]c(=O)c3CSCc3c12 Show InChI InChI=1S/C10H11N3OS/c1-5-8-6-3-15-4-7(6)10(14)11-9(8)13(2)12-5/h3-4H2,1-2H3,(H,11,14)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92.7	n/a	n/a	n/a	n/a	8.0	23
Deltagen Research Laboratories					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP-1 enzyme assay was carried out in reaction mixture consisting of Escherichia coli str...				Bioorg Med Chem Lett 18: 5126-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.091 BindingDB Entry DOI: 10.7270/Q29S1PCX
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27695 (5-methyl-3-phenyl-4,5,7-triazatricyclo[7.3.0.0^{2,...) Show SMILES Cn1nc(-c2ccccc2)c2c3CCCc3c(=O)[nH]c12 Show InChI InChI=1S/C16H15N3O/c1-19-15-13(11-8-5-9-12(11)16(20)17-15)14(18-19)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	8.0	23
Deltagen Research Laboratories					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP-1 enzyme assay was carried out in reaction mixture consisting of Escherichia coli str...				Bioorg Med Chem Lett 18: 5126-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.091 BindingDB Entry DOI: 10.7270/Q29S1PCX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM602728 (2-[1-(2-Isoindolin-2-yl-6-methyl-4-oxo-chromen-8-y...) Show SMILES C[C@H](Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1Cc2ccccc2C1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27690 (5-methyl-3-phenyl-11-thia-4,5,7-triazatricyclo[7.3...) Show SMILES Cn1nc(-c2ccccc2)c2c3CSCc3c(=O)[nH]c12 Show InChI InChI=1S/C15H13N3OS/c1-18-14-12(10-7-20-8-11(10)15(19)16-14)13(17-18)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	8.0	23
Deltagen Research Laboratories					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP-1 enzyme assay was carried out in reaction mixture consisting of Escherichia coli str...				Bioorg Med Chem Lett 18: 5126-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.091 BindingDB Entry DOI: 10.7270/Q29S1PCX
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27696 (5-methyl-3-(thiophen-2-yl)-4,5,7-triazatricyclo[7....) Show SMILES Cn1nc(-c2cccs2)c2c3CCCc3c(=O)[nH]c12 Show InChI InChI=1S/C14H13N3OS/c1-17-13-11(12(16-17)10-6-3-7-19-10)8-4-2-5-9(8)14(18)15-13/h3,6-7H,2,4-5H2,1H3,(H,15,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	8.0	23
Deltagen Research Laboratories					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP-1 enzyme assay was carried out in reaction mixture consisting of Escherichia coli str...				Bioorg Med Chem Lett 18: 5126-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.091 BindingDB Entry DOI: 10.7270/Q29S1PCX
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27682 (5-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | CHE...) Show SMILES Cc1cccc2C(=O)NCCc12 Show InChI InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	8.0	23
Deltagen Research Laboratories					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP-1 enzyme assay was carried out in reaction mixture consisting of Escherichia coli str...				Bioorg Med Chem Lett 18: 5126-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.091 BindingDB Entry DOI: 10.7270/Q29S1PCX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27691 (5-methyl-3-(thiophen-2-yl)-11-thia-4,5,7-triazatri...) Show SMILES Cn1nc(-c2cccs2)c2c3CSCc3c(=O)[nH]c12 Show InChI InChI=1S/C13H11N3OS2/c1-16-12-10(11(15-16)9-3-2-4-19-9)7-5-18-6-8(7)13(17)14-12/h2-4H,5-6H2,1H3,(H,14,17)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	428	n/a	n/a	n/a	n/a	8.0	23
Deltagen Research Laboratories					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP-1 enzyme assay was carried out in reaction mixture consisting of Escherichia coli str...				Bioorg Med Chem Lett 18: 5126-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.091 BindingDB Entry DOI: 10.7270/Q29S1PCX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM602728 (2-[1-(2-Isoindolin-2-yl-6-methyl-4-oxo-chromen-8-y...) Show SMILES C[C@H](Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1Cc2ccccc2C1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602616 (5-Cyano-2-[1-[2-(4,4-dimethyl-1- piperidyl)-6-meth...) Show SMILES CC(Nc1ccc(cc1C(O)=O)C#N)c1cc(C)cc2c1oc(cc2=O)N1CCC(C)(C)CC1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602619 (2-[1-[2-(4,4-Dimethyl-1-piperidyl)-6- methyl-4-oxo...) Show SMILES CONC(=O)c1ccccc1NC(C)c1cc(C)cc2c1oc(cc2=O)N1CCC(C)(C)CC1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602620 (2-(4,4-Dimethyl-1-piperidyl)-6-methyl- 8-[1-[2-(1H...) Show SMILES CC(Nc1ccccc1-c1nnn[nH]1)c1cc(C)cc2c1oc(cc2=O)N1CCC(C)(C)CC1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602628 (2-[1-[3-Cyclopropyl-2-(4,4-dimethyl-1- piperidyl)-...) Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(N1CCC(C)(C)CC1)c(C1CC1)c2=O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602629 (2-[1-[2-(4,4-Dimethyl-1-piperidyl)-6- isoxazol-4-y...) Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(N1CCC(C)(C)CC1)c(-c1cnoc1)c2=O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602631 (2-[1-[2-(4,4-dimethyl-1-piperidyl)-3- ethyl-6-meth...) Show SMILES CCc1c(oc2c(cc(C)cc2c1=O)C(C)Nc1ccccc1C(O)=O)N1CCC(C)(C)CC1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602634 (2-[1-[2-(3-Chloroazetidin-1-yl)-6- methyl-4-oxo-ch...) Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CC(Cl)C1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602636 (2-[1-[2-(3,3-Dimethyl-1-piperidyl)-6- methyl-4-oxo...) Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CCCC(C)(C)C1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602640 (2-[1-[2-(Isobutylamino)-6-methyl-4- oxo-chromen-8-...) Show SMILES CC(C)CNc1cc(=O)c2cc(C)cc(C(C)Nc3ccccc3C(O)=O)c2o1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602646 (2-[1-[2-(2-Azaspiro[3.5]nonan-2-yl)- 6-methyl-4-ox...) Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CC2(C1)CCCCC2 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602651 (2-[1-[2-(5-Fluoroisoindolin-2-yl)-6- methyl-4-oxo-...) Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1Cc2ccc(F)cc2C1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602651 (2-[1-[2-(5-Fluoroisoindolin-2-yl)-6- methyl-4-oxo-...) Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1Cc2ccc(F)cc2C1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602666 (2-[1-[2-(4,4-Difluoro-1- piperidyl)-6-methyl-4-oxo...) Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CCC(F)(F)CC1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602670 (2-[1-[2-(3,4-Dihydro-1H- pyrrolo[1,2-a]pyrazin-2-y...) Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CCn2cccc2C1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602671 (2-[1-[2-(3- Azabicyclo[3.1.1]heptan-3-yl)- 6-methy...) Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CC2CC(C2)C1 |(,-2.31,;-1.33,-1.54,;-2.67,-2.31,;-4,-1.54,;-4,,;-5.33,.77,;-6.67,,;-6.67,-1.54,;-5.33,-2.31,;-5.33,-3.85,;-6.67,-4.62,;-4,-4.62,;-1.33,,;-2.67,.77,;-2.67,2.31,;-4,3.08,;-1.33,3.08,;,2.31,;,.77,;1.33,,;2.67,.77,;2.67,2.31,;1.33,3.08,;1.33,4.62,;4,,;4,-1.54,;5.33,-2.31,;6.67,-1.54,;6.67,,;5.33,-.77,;5.33,.77,)| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602672 (2-[1-[2-[3-(1,1- Difluoroethyl)azetidin-l-yl]-6- m...) Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CC(C1)C(C)(F)F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602674 (2-[1-[6-Methyl-4-oxo-2-(1- phenyl-1,6- diazaspiro[...) Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CC2(CCN2c2ccccc2)C1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602675 (2-[1-[2-(3-Ethyl-3-phenyl- azetidin-1-yl)-6-methyl...) Show SMILES CCC1(CN(C1)c1cc(=O)c2cc(C)cc(C(C)Nc3ccccc3C(O)=O)c2o1)c1ccccc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602676 (2-[1[2-(6,6-Difluoro-2- azaspiro[3.3]heptan-2-yl)-...) Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CC2(C1)CC(F)(F)C2 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602677 (2-[1-[2-(3,4-Dihydro-1H- isoquinolin-2-yl)-6-methy...) Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CCc2ccccc2C1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602678 (US11649227, Example 236 | US20230286960, Example 2...) Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CC(C1)c1ccccc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602682 (2-Chloro-5-[1-(2-isoindolin-2-yl- 6-methyl-4-oxo-c...) Show SMILES CC(Nc1sc(Cl)nc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1Cc2ccccc2C1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM602684 (6-Chloro-3-[[(1R)-1-[2-(4,4- dimethyl-1-piperidyl)...) Show SMILES C[C@@H](Nc1ccc(Cl)nc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CCC(C)(C)CC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602684 (6-Chloro-3-[[(1R)-1-[2-(4,4- dimethyl-1-piperidyl)...) Show SMILES C[C@@H](Nc1ccc(Cl)nc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CCC(C)(C)CC1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602685 (2-[1-(2-Isoindolin-2-yl-3,6- dimethyl-4-oxo-chrome...) Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(N1Cc3ccccc3C1)c(C)c2=O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602686 (US11649227, Example 272 | US20230286960, Example 2...) Show SMILES CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(N1Cc3ccc(F)cc3C1)c(C)c2=O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM602687 (US11649227, Example 274 | US20230286960, Example 2...) Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(N1CC(C)(C1)c1ccccc1)c(C)c2=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602687 (US11649227, Example 274 | US20230286960, Example 2...) Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(N1CC(C)(C1)c1ccccc1)c(C)c2=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM602688 (2- [[(1R)-1- [3 ,6-dimethyl-4-oxo-2- [(3R)-3-pheny...) Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(N1CC[C@@H](C1)c1ccccc1)c(C)c2=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602688 (2- [[(1R)-1- [3 ,6-dimethyl-4-oxo-2- [(3R)-3-pheny...) Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(N1CC[C@@H](C1)c1ccccc1)c(C)c2=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602689 (US11649227, Example 288 | US20230286960, Example 2...) Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(N1CCC(CC1)(C#N)c1ccccc1)c(C)c2=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602690 (US11649227, Example 289 | US20230286960, Example 2...) Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(N1CC3(CCC3(F)F)C1)c(C)c2=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602692 (US11649227, Example 297 | US20230286960, Example 2...) Show SMILES CC(Nc1ccc(Cl)nc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1Cc2ccc(F)cc2C1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM602693 (US11649227, Example 298 | US20230286960, Example 2...) Show SMILES CC(Nc1ccc(Cl)nc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CCC2(CC2)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] (Homo sapiens (Human))	BDBM602693 (US11649227, Example 298 | US20230286960, Example 2...) Show SMILES CC(Nc1ccc(Cl)nc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CCC2(CC2)CC1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2N58RBV
					More data for this Ligand-Target Pair

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