Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'grandel' and Initial = 'r'   

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))	BDBM27122 (2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-1,3-benzodi...) Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCN(CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H19N5O/c21-12-13-4-6-15(7-5-13)25-10-8-14(9-11-25)20-23-17-3-1-2-16(19(22)26)18(17)24-20/h1-7,14H,8-11H2,(H2,22,26)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27124 (2-(1-cyclopentylazepan-4-yl)-1H-1,3-benzodiazole-4...) Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCCN(CC1)C1CCCC1 Show InChI InChI=1S/C19H26N4O/c20-18(24)15-8-3-9-16-17(15)22-19(21-16)13-5-4-11-23(12-10-13)14-6-1-2-7-14/h3,8-9,13-14H,1-2,4-7,10-12H2,(H2,20,24)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27096 (2-(pyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxam...) Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCNC1 Show InChI InChI=1S/C12H14N4O/c13-11(17)8-2-1-3-9-10(8)16-12(15-9)7-4-5-14-6-7/h1-3,7,14H,4-6H2,(H2,13,17)(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	-47.5	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27112 (2-(1-cyclopentylpyrrolidin-3-yl)-1H-1,3-benzodiazo...) Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCN(C1)C1CCCC1 Show InChI InChI=1S/C17H22N4O/c18-16(22)13-6-3-7-14-15(13)20-17(19-14)11-8-9-21(10-11)12-4-1-2-5-12/h3,6-7,11-12H,1-2,4-5,8-10H2,(H2,18,22)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	-46.9	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27123 (2-[1-(propan-2-yl)azepan-4-yl]-1H-1,3-benzodiazole...) Show SMILES CC(C)N1CCCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C17H24N4O/c1-11(2)21-9-4-5-12(8-10-21)17-19-14-7-3-6-13(16(18)22)15(14)20-17/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H2,18,22)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27101 (2-(azepan-4-yl)-1H-1,3-benzodiazole-4-carboxamide ...) Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCCNCC1 Show InChI InChI=1S/C14H18N4O/c15-13(19)10-4-1-5-11-12(10)18-14(17-11)9-3-2-7-16-8-6-9/h1,4-5,9,16H,2-3,6-8H2,(H2,15,19)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	-46.9	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27100 (2-(piperidin-4-yl)-1H-1,3-benzodiazole-4-carboxami...) Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCNCC1 Show InChI InChI=1S/C13H16N4O/c14-12(18)9-2-1-3-10-11(9)17-13(16-10)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2,(H2,14,18)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5	-46.9	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27093 (2-(azetidin-3-yl)-1H-1,3-benzodiazole-4-carboxamid...) Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CNC1 Show InChI InChI=1S/C11H12N4O/c12-10(16)7-2-1-3-8-9(7)15-11(14-8)6-4-13-5-6/h1-3,6,13H,4-5H2,(H2,12,16)(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-46.5	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27121 (2-(1-cyclopentylpiperidin-4-yl)-1H-1,3-benzodiazol...) Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C18H24N4O/c19-17(23)14-6-3-7-15-16(14)21-18(20-15)12-8-10-22(11-9-12)13-4-1-2-5-13/h3,6-7,12-13H,1-2,4-5,8-11H2,(H2,19,23)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27120 (2-[1-(propan-2-yl)piperidin-4-yl]-1H-1,3-benzodiaz...) Show SMILES CC(C)N1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C16H22N4O/c1-10(2)20-8-6-11(7-9-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-5,10-11H,6-9H2,1-2H3,(H2,17,21)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27094 (2-[(2R)-pyrrolidin-2-yl]-1H-1,3-benzodiazole-4-car...) Show SMILES NC(=O)c1cccc2nc([nH]c12)[C@H]1CCCN1 |r| Show InChI InChI=1S/C12H14N4O/c13-11(17)7-3-1-4-8-10(7)16-12(15-8)9-5-2-6-14-9/h1,3-4,9,14H,2,5-6H2,(H2,13,17)(H,15,16)/t9-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	-46.1	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27106 (2-[(2R)-1-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...) Show SMILES CN1CCC[C@@H]1c1nc2cccc(C(N)=O)c2[nH]1 |r| Show InChI InChI=1S/C13H16N4O/c1-17-7-3-6-10(17)13-15-9-5-2-4-8(12(14)18)11(9)16-13/h2,4-5,10H,3,6-7H2,1H3,(H2,14,18)(H,15,16)/t10-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	-45.7	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27119 (2-(1-propylpiperidin-4-yl)-1H-1,3-benzodiazole-4-c...) Show SMILES CCCN1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C16H22N4O/c1-2-8-20-9-6-11(7-10-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-5,11H,2,6-10H2,1H3,(H2,17,21)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27110 (2-(1-propylpyrrolidin-3-yl)-1H-1,3-benzodiazole-4-...) Show SMILES CCCN1CCC(C1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C15H20N4O/c1-2-7-19-8-6-10(9-19)15-17-12-5-3-4-11(14(16)20)13(12)18-15/h3-5,10H,2,6-9H2,1H3,(H2,16,20)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	-45.7	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27113 (2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-1,3-benzod...) Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCN(CCc2ccccc2)C1 Show InChI InChI=1S/C20H22N4O/c21-19(25)16-7-4-8-17-18(16)23-20(22-17)15-10-12-24(13-15)11-9-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H2,21,25)(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	-45.5	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27111 (2-[1-(propan-2-yl)pyrrolidin-3-yl]-1H-1,3-benzodia...) Show SMILES CC(C)N1CCC(C1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C15H20N4O/c1-9(2)19-7-6-10(8-19)15-17-12-5-3-4-11(14(16)20)13(12)18-15/h3-5,9-10H,6-8H2,1-2H3,(H2,16,20)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	-45.5	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27099 (2-(piperidin-3-yl)-1H-1,3-benzodiazole-4-carboxami...) Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCCNC1 Show InChI InChI=1S/C13H16N4O/c14-12(18)9-4-1-5-10-11(9)17-13(16-10)8-3-2-6-15-7-8/h1,4-5,8,15H,2-3,6-7H2,(H2,14,18)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	-45.0	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27105 (2-(1-cyclopentylazetidin-3-yl)-1H-1,3-benzodiazole...) Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CN(C1)C1CCCC1 Show InChI InChI=1S/C16H20N4O/c17-15(21)12-6-3-7-13-14(12)19-16(18-13)10-8-20(9-10)11-4-1-2-5-11/h3,6-7,10-11H,1-2,4-5,8-9H2,(H2,17,21)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	-44.2	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27125 (2-[(2S)-5-oxopyrrolidin-2-yl]-1H-1,3-benzodiazole-...) Show SMILES NC(=O)c1cccc2nc([nH]c12)[C@@H]1CCC(=O)N1 |r| Show InChI InChI=1S/C12H12N4O2/c13-11(18)6-2-1-3-7-10(6)16-12(15-7)8-4-5-9(17)14-8/h1-3,8H,4-5H2,(H2,13,18)(H,14,17)(H,15,16)/t8-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27091 (2-phenyl-1H-1,3-benzodiazole-4-carboxamide | CHEMB...) Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccccc1 Show InChI InChI=1S/C14H11N3O/c15-13(18)10-7-4-8-11-12(10)17-14(16-11)9-5-2-1-3-6-9/h1-8H,(H2,15,18)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	-43.9	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27104 (2-(1-propylazetidin-3-yl)-1H-1,3-benzodiazole-4-ca...) Show SMILES CCCN1CC(C1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C14H18N4O/c1-2-6-18-7-9(8-18)14-16-11-5-3-4-10(13(15)19)12(11)17-14/h3-5,9H,2,6-8H2,1H3,(H2,15,19)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	-43.9	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27132 (6-chloro-2-[1-(propan-2-yl)piperidin-4-yl]-1H-1,3-...) Show SMILES CC(C)N1CCC(CC1)c1nc2c(cc(Cl)cc2[nH]1)C(N)=O Show InChI InChI=1S/C16H21ClN4O/c1-9(2)21-5-3-10(4-6-21)16-19-13-8-11(17)7-12(15(18)22)14(13)20-16/h7-10H,3-6H2,1-2H3,(H2,18,22)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27118 (2-(1-methylpiperidin-4-yl)-1H-1,3-benzodiazole-4-c...) Show SMILES CN1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C14H18N4O/c1-18-7-5-9(6-8-18)14-16-11-4-2-3-10(13(15)19)12(11)17-14/h2-4,9H,5-8H2,1H3,(H2,15,19)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	-43.6	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27109 (2-[(2S)-1-(propan-2-yl)pyrrolidin-2-yl]-1H-1,3-ben...) Show SMILES CC(C)N1CCC[C@H]1c1nc2cccc(C(N)=O)c2[nH]1 |r| Show InChI InChI=1S/C15H20N4O/c1-9(2)19-8-4-7-12(19)15-17-11-6-3-5-10(14(16)20)13(11)18-15/h3,5-6,9,12H,4,7-8H2,1-2H3,(H2,16,20)(H,17,18)/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	-43.5	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27108 (2-[(2R)-1-(propan-2-yl)pyrrolidin-2-yl]-1H-1,3-ben...) Show SMILES CC(C)N1CCC[C@@H]1c1nc2cccc(C(N)=O)c2[nH]1 |r| Show InChI InChI=1S/C15H20N4O/c1-9(2)19-8-4-7-12(19)15-17-11-6-3-5-10(14(16)20)13(11)18-15/h3,5-6,9,12H,4,7-8H2,1-2H3,(H2,16,20)(H,17,18)/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	-43.4	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27117 (2-[1-(propan-2-yl)piperidin-3-yl]-1H-1,3-benzodiaz...) Show SMILES CC(C)N1CCCC(C1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C16H22N4O/c1-10(2)20-8-4-5-11(9-20)16-18-13-7-3-6-12(15(17)21)14(13)19-16/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H2,17,21)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	22	-43.3	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27107 (2-[(2S)-1-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...) Show SMILES CN1CCC[C@H]1c1nc2cccc(C(N)=O)c2[nH]1 |r| Show InChI InChI=1S/C13H16N4O/c1-17-7-3-6-10(17)13-15-9-5-2-4-8(12(14)18)11(9)16-13/h2,4-5,10H,3,6-7H2,1H3,(H2,14,18)(H,15,16)/t10-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	26	-42.9	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27130 (2-(piperazin-2-yl)-1H-1,3-benzodiazole-4-carboxami...) Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CNCCN1 Show InChI InChI=1S/C12H15N5O/c13-11(18)7-2-1-3-8-10(7)17-12(16-8)9-6-14-4-5-15-9/h1-3,9,14-15H,4-6H2,(H2,13,18)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27127 (2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-1,3-benzo...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)C1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H20N4O3S/c20-18(24)15-7-4-8-16-17(15)22-19(21-16)13-9-11-23(12-10-13)27(25,26)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,20,24)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27128 (2-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-1,3-ben...) Show SMILES CN(C)S(=O)(=O)N1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C15H21N5O3S/c1-19(2)24(22,23)20-8-6-10(7-9-20)15-17-12-5-3-4-11(14(16)21)13(12)18-15/h3-5,10H,6-9H2,1-2H3,(H2,16,21)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27114 (2-(1-methylpiperidin-2-yl)-1H-1,3-benzodiazole-4-c...) Show SMILES CN1CCCCC1c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C14H18N4O/c1-18-8-3-2-7-11(18)14-16-10-6-4-5-9(13(15)19)12(10)17-14/h4-6,11H,2-3,7-8H2,1H3,(H2,15,19)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	29	-42.6	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27116 (2-(1-methylpiperidin-3-yl)-1H-1,3-benzodiazole-4-c...) Show SMILES CN1CCCC(C1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C14H18N4O/c1-18-7-3-4-9(8-18)14-16-11-6-2-5-10(13(15)19)12(11)17-14/h2,5-6,9H,3-4,7-8H2,1H3,(H2,15,19)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	-42.5	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27095 (2-[(2S)-pyrrolidin-2-yl]-1H-1,3-benzodiazole-4-car...) Show SMILES NC(=O)c1cccc2nc([nH]c12)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C12H14N4O/c13-11(17)7-3-1-4-8-10(7)16-12(15-8)9-5-2-6-14-9/h1,3-4,9,14H,2,5-6H2,(H2,13,17)(H,15,16)/t9-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	-42.5	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27129 (2-{1-[2-(diethylamino)ethyl]piperidin-4-yl}-1H-1,3...) Show SMILES CCN(CC)CCN1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C19H29N5O/c1-3-23(4-2)12-13-24-10-8-14(9-11-24)19-21-16-7-5-6-15(18(20)25)17(16)22-19/h5-7,14H,3-4,8-13H2,1-2H3,(H2,20,25)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27092 (2-(azetidin-2-yl)-1H-1,3-benzodiazole-4-carboxamid...) Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCN1 Show InChI InChI=1S/C11H12N4O/c12-10(16)6-2-1-3-7-9(6)15-11(14-7)8-4-5-13-8/h1-3,8,13H,4-5H2,(H2,12,16)(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	34	-42.2	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27133 (1-methyl-2-(1-propylpiperidin-4-yl)-1H-1,3-benzodi...) Show SMILES CCCN1CCC(CC1)c1nc2c(cccc2n1C)C(N)=O Show InChI InChI=1S/C17H24N4O/c1-3-9-21-10-7-12(8-11-21)17-19-15-13(16(18)22)5-4-6-14(15)20(17)2/h4-6,12H,3,7-11H2,1-2H3,(H2,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27131 (2-(1,4-dimethylpiperazin-2-yl)-1H-1,3-benzodiazole...) Show SMILES CN1CCN(C)C(C1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C14H19N5O/c1-18-6-7-19(2)11(8-18)14-16-10-5-3-4-9(13(15)20)12(10)17-14/h3-5,11H,6-8H2,1-2H3,(H2,15,20)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27097 (2-[(2R)-piperidin-2-yl]-1H-1,3-benzodiazole-4-carb...) Show SMILES NC(=O)c1cccc2nc([nH]c12)[C@H]1CCCCN1 |r| Show InChI InChI=1S/C13H16N4O/c14-12(18)8-4-3-6-9-11(8)17-13(16-9)10-5-1-2-7-15-10/h3-4,6,10,15H,1-2,5,7H2,(H2,14,18)(H,16,17)/t10-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	37	-42.0	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27098 (2-[(2S)-piperidin-2-yl]-1H-1,3-benzodiazole-4-carb...) Show SMILES NC(=O)c1cccc2nc([nH]c12)[C@@H]1CCCCN1 |r| Show InChI InChI=1S/C13H16N4O/c14-12(18)8-4-3-6-9-11(8)17-13(16-9)10-5-1-2-7-15-10/h3-4,6,10,15H,1-2,5,7H2,(H2,14,18)(H,16,17)/t10-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	41	-41.7	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27090 (2-(4-methoxycyclohexyl)-1H-1,3-benzodiazole-4-carb...) Show SMILES COC1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1 |(8.14,2.59,;7.35,1.27,;5.81,1.29,;5.07,2.64,;3.53,2.66,;2.74,1.34,;3.48,-0,;5.02,-.03,;1.2,1.34,;.29,.1,;-1.17,.57,;-2.51,-.2,;-3.84,.57,;-3.84,2.11,;-2.51,2.88,;-2.51,4.42,;-1.17,5.19,;-3.84,5.19,;-1.17,2.11,;.29,2.59,)| Show InChI InChI=1S/C15H19N3O2/c1-20-10-7-5-9(6-8-10)15-17-12-4-2-3-11(14(16)19)13(12)18-15/h2-4,9-10H,5-8H2,1H3,(H2,16,19)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	44	-41.6	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27115 (2-[1-(propan-2-yl)piperidin-2-yl]-1H-1,3-benzodiaz...) Show SMILES CC(C)N1CCCCC1c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C16H22N4O/c1-10(2)20-9-4-3-8-13(20)16-18-12-7-5-6-11(15(17)21)14(12)19-16/h5-7,10,13H,3-4,8-9H2,1-2H3,(H2,17,21)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	45	-41.5	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27126 (2-(1-acetylpiperidin-4-yl)-1H-1,3-benzodiazole-4-c...) Show SMILES CC(=O)N1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C15H18N4O2/c1-9(20)19-7-5-10(6-8-19)15-17-12-4-2-3-11(14(16)21)13(12)18-15/h2-4,10H,5-8H2,1H3,(H2,16,21)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27102 (2-[1-(propan-2-yl)azetidin-2-yl]-1H-1,3-benzodiazo...) Show SMILES CC(C)N1CCC1c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C14H18N4O/c1-8(2)18-7-6-11(18)14-16-10-5-3-4-9(13(15)19)12(10)17-14/h3-5,8,11H,6-7H2,1-2H3,(H2,15,19)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	110	-39.3	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27103 (2-(1-cyclopentylazetidin-2-yl)-1H-1,3-benzodiazole...) Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCN1C1CCCC1 Show InChI InChI=1S/C16H20N4O/c17-15(21)11-6-3-7-12-14(11)19-16(18-12)13-8-9-20(13)10-4-1-2-5-10/h3,6-7,10,13H,1-2,4-5,8-9H2,(H2,17,21)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	180	-38.1	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27088 (1H-1,3-benzodiazole-4-carboxamide | 1H-benzimidazo...) Show SMILES NC(=O)c1cccc2nc[nH]c12 Show InChI InChI=1S/C8H7N3O/c9-8(12)5-2-1-3-6-7(5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	240	-37.4	n/a	n/a	n/a	n/a	n/a	8.0	22
Abbott Laboratories					Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...				Bioorg Med Chem 16: 6965-75 (2008) Article DOI: 10.1016/j.bmc.2008.05.044 BindingDB Entry DOI: 10.7270/Q2JD4V3X
					More data for this Ligand-Target Pair