Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 3038   

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))	BDBM27145 (2-(4-methylazepan-4-yl)-1H-1,3-benzodiazole-4-carb...) Show SMILES CC1(CCCNCC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C15H20N4O/c1-15(6-3-8-17-9-7-15)14-18-11-5-2-4-10(13(16)20)12(11)19-14/h2,4-5,17H,3,6-9H2,1H3,(H2,16,20)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-48.2	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27158 (6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-b...) Show SMILES C[C@@]1(CCCN1)c1nc2c(cc(F)cc2[nH]1)C(N)=O |r| Show InChI InChI=1S/C13H15FN4O/c1-13(3-2-4-16-13)12-17-9-6-7(14)5-8(11(15)19)10(9)18-12/h5-6,16H,2-4H2,1H3,(H2,15,19)(H,17,18)/t13-/m1/s1	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27161 (2-(4-methylpiperidin-4-yl)-1H-1,3-benzodiazole-4-c...) Show SMILES CC1(CCNCC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C14H18N4O/c1-14(5-7-16-8-6-14)13-17-10-4-2-3-9(12(15)19)11(10)18-13/h2-4,16H,5-8H2,1H3,(H2,15,19)(H,17,18)	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27139 (2-(3-methylpyrrolidin-3-yl)-1H-1,3-benzodiazole-4-...) Show SMILES CC1(CCNC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C13H16N4O/c1-13(5-6-15-7-13)12-16-9-4-2-3-8(11(14)18)10(9)17-12/h2-4,15H,5-7H2,1H3,(H2,14,18)(H,16,17)	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27149 (2-(2-methylpyrrolidin-2-yl)-1H-1,3-benzodiazole-4-...) Show SMILES CC1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB 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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27134 (2-(3-methylazetidin-3-yl)-1H-1,3-benzodiazole-4-ca...) Show SMILES CC1(CNC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C12H14N4O/c1-12(5-14-6-12)11-15-8-4-2-3-7(10(13)17)9(8)16-11/h2-4,14H,5-6H2,1H3,(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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27136 (2-[(2S)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...) Show SMILES C[C@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1 |r| Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB 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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27135 (2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...) Show SMILES C[C@@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1 |r| Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB 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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27141 (2-(2-methylpiperidin-2-yl)-1H-1,3-benzodiazole-4-c...) Show SMILES CC1(CCCCN1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C14H18N4O/c1-14(7-2-3-8-16-14)13-17-10-6-4-5-9(12(15)19)11(10)18-13/h4-6,16H,2-3,7-8H2,1H3,(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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27152 (2-(1,3-dimethylpyrrolidin-3-yl)-1H-1,3-benzodiazol...) Show SMILES CN1CCC(C)(C1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C14H18N4O/c1-14(6-7-18(2)8-14)13-16-10-5-3-4-9(12(15)19)11(10)17-13/h3-5H,6-8H2,1-2H3,(H2,15,19)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27140 (2-[3-methyl-1-(propan-2-yl)pyrrolidin-3-yl]-1H-1,3...) Show SMILES CC(C)N1CCC(C)(C1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C16H22N4O/c1-10(2)20-8-7-16(3,9-20)15-18-12-6-4-5-11(14(17)21)13(12)19-15/h4-6,10H,7-9H2,1-3H3,(H2,17,21)(H,18,19)	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27137 (2-(1,2-dimethylpyrrolidin-2-yl)-1H-1,3-benzodiazol...) Show SMILES CN1CCCC1(C)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C14H18N4O/c1-14(7-4-8-18(14)2)13-16-10-6-3-5-9(12(15)19)11(10)17-13/h3,5-6H,4,7-8H2,1-2H3,(H2,15,19)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27163 (2-(1-cyclopentyl-4-methylazepan-4-yl)-1H-1,3-benzo...) Show SMILES CC1(CCCN(CC1)C1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C20H28N4O/c1-20(10-5-12-24(13-11-20)14-6-2-3-7-14)19-22-16-9-4-8-15(18(21)25)17(16)23-19/h4,8-9,14H,2-3,5-7,10-13H2,1H3,(H2,21,25)(H,22,23)	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27162 (2-[4-methyl-1-(propan-2-yl)piperidin-4-yl]-1H-1,3-...) Show SMILES CC(C)N1CCC(C)(CC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C17H24N4O/c1-11(2)21-9-7-17(3,8-10-21)16-19-13-6-4-5-12(15(18)22)14(13)20-16/h4-6,11H,7-10H2,1-3H3,(H2,18,22)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27153 (2-{1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3...) Show SMILES CC1(CCN(Cc2ccccc2F)C1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C20H21FN4O/c1-20(9-10-25(12-20)11-13-5-2-3-7-15(13)21)19-23-16-8-4-6-14(18(22)26)17(16)24-19/h2-8H,9-12H2,1H3,(H2,22,26)(H,23,24)	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27148 (2-[3-methyl-1-(propan-2-yl)azetidin-3-yl]-1H-1,3-b...) Show SMILES CC(C)N1CC(C)(C1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C15H20N4O/c1-9(2)19-7-15(3,8-19)14-17-11-6-4-5-10(13(16)20)12(11)18-14/h4-6,9H,7-8H2,1-3H3,(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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27159 (6-chloro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-b...) Show SMILES C[C@@]1(CCCN1)c1nc2c(cc(Cl)cc2[nH]1)C(N)=O |r| Show InChI InChI=1S/C13H15ClN4O/c1-13(3-2-4-16-13)12-17-9-6-7(14)5-8(11(15)19)10(9)18-12/h5-6,16H,2-4H2,1H3,(H2,15,19)(H,17,18)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27154 (2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-1...) Show SMILES CC1(CCN(CCc2ccccc2)C1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C21H24N4O/c1-21(11-13-25(14-21)12-10-15-6-3-2-4-7-15)20-23-17-9-5-8-16(19(22)26)18(17)24-20/h2-9H,10-14H2,1H3,(H2,22,26)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	-45.2	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27146 (2-(2-methylazetidin-2-yl)-1H-1,3-benzodiazole-4-ca...) Show SMILES CC1(CCN1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C12H14N4O/c1-12(5-6-14-12)11-15-8-4-2-3-7(10(13)17)9(8)16-11/h2-4,14H,5-6H2,1H3,(H2,13,17)(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	-44.6	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27156 (2-(2-ethylpyrrolidin-2-yl)-1H-1,3-benzodiazole-4-c...) Show SMILES CCC1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C14H18N4O/c1-2-14(7-4-8-16-14)13-17-10-6-3-5-9(12(15)19)11(10)18-13/h3,5-6,16H,2,4,7-8H2,1H3,(H2,15,19)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	-44.6	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27138 (2-(1-methylpyrrolidin-2-yl)-1H-1,3-benzodiazole-4-...) Show SMILES CN1CCCC1c1nc2cccc(C(N)=O)c2[nH]1 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)	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27150 (2-[2-methyl-1-(propan-2-yl)pyrrolidin-2-yl]-1H-1,3...) Show SMILES CC(C)N1CCCC1(C)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C16H22N4O/c1-10(2)20-9-5-8-16(20,3)15-18-12-7-4-6-11(14(17)21)13(12)19-15/h4,6-7,10H,5,8-9H2,1-3H3,(H2,17,21)(H,18,19)	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27143 (2-(2-methyl-1-propylpiperidin-2-yl)-1H-1,3-benzodi...) Show SMILES CCCN1CCCCC1(C)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C17H24N4O/c1-3-10-21-11-5-4-9-17(21,2)16-19-13-8-6-7-12(15(18)22)14(13)20-16/h6-8H,3-5,9-11H2,1-2H3,(H2,18,22)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27155 (2-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]-1H-1,3-benz...) Show SMILES C[C@@]1(CCC(=O)N1)c1nc2cccc(C(N)=O)c2[nH]1 |r| Show InChI InChI=1S/C13H14N4O2/c1-13(6-5-9(18)17-13)12-15-8-4-2-3-7(11(14)19)10(8)16-12/h2-4H,5-6H2,1H3,(H2,14,19)(H,15,16)(H,17,18)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	-43.2	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27142 (2-(piperidin-2-yl)-1H-1,3-benzodiazole-4-carboxami...) Show SMILES NC(=O)c1cccc2nc([nH]c12)C1CCCCN1 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)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	-43.0	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27151 (2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-1,3-be...) Show SMILES CC1(CCCN1C1CCC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C17H22N4O/c1-17(9-4-10-21(17)11-5-2-6-11)16-19-13-8-3-7-12(15(18)22)14(13)20-16/h3,7-8,11H,2,4-6,9-10H2,1H3,(H2,18,22)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	31	-42.4	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27147 (2-[2-methyl-1-(propan-2-yl)azetidin-2-yl]-1H-1,3-b...) Show SMILES CC(C)N1CCC1(C)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C15H20N4O/c1-9(2)19-8-7-15(19,3)14-17-11-6-4-5-10(13(16)20)12(11)18-14/h4-6,9H,7-8H2,1-3H3,(H2,16,20)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	42	-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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27157 (2-[2-ethyl-1-(propan-2-yl)pyrrolidin-2-yl]-1H-1,3-...) Show SMILES CCC1(CCCN1C(C)C)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C17H24N4O/c1-4-17(9-6-10-21(17)11(2)3)16-19-13-8-5-7-12(15(18)22)14(13)20-16/h5,7-8,11H,4,6,9-10H2,1-3H3,(H2,18,22)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	69	-40.5	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27144 (2-(1-propylpiperidin-2-yl)-1H-1,3-benzodiazole-4-c...) Show SMILES CCCN1CCCCC1c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C16H22N4O/c1-2-9-20-10-4-3-8-13(20)16-18-12-7-5-6-11(15(17)21)14(12)19-16/h5-7,13H,2-4,8-10H2,1H3,(H2,17,21)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	130	-38.9	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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27160 (2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H...) Show SMILES CC1(CCCN1)c1nc2c(cc(cc2[nH]1)C(F)(F)F)C(N)=O Show InChI InChI=1S/C14H15F3N4O/c1-13(3-2-4-19-13)12-20-9-6-7(14(15,16)17)5-8(11(18)22)10(9)21-12/h5-6,19H,2-4H2,1H3,(H2,18,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.30E+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...				J Med Chem 52: 514-23 (2009) Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK
					More data for this Ligand-Target Pair