Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50030369   

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))	BDBM50295219 (2-(4-methyl-1,4-diazepane-1-carbonyl)pyrazolo[1,5-...) Show SMILES CN1CCCN(CC1)C(=O)c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C17H19N5O2/c1-20-7-4-8-21(10-9-20)17(24)13-11-15-18-16(23)12-5-2-3-6-14(12)22(15)19-13/h2-3,5-6,11H,4,7-10H2,1H3,(H,18,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295217 (2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]quinazoli...) Show SMILES COc1cc(cc(OC)c1OC)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C19H17N3O4/c1-24-15-8-11(9-16(25-2)18(15)26-3)13-10-17-20-19(23)12-6-4-5-7-14(12)22(17)21-13/h4-10H,1-3H3,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295218 (2-(1,4-diazepane-1-carbonyl)pyrazolo[1,5-a]quinazo...) Show SMILES O=C(N1CCCNCC1)c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C16H17N5O2/c22-15-11-4-1-2-5-13(11)21-14(18-15)10-12(19-21)16(23)20-8-3-6-17-7-9-20/h1-2,4-5,10,17H,3,6-9H2,(H,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295216 (CHEMBL561717 | N-((1-methylpiperidin-4-yl)methyl)-...) Show SMILES CN1CCC(CNC(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)CC1 Show InChI InChI=1S/C18H21N5O2/c1-22-8-6-12(7-9-22)11-19-18(25)14-10-16-20-17(24)13-4-2-3-5-15(13)23(16)21-14/h2-5,10,12H,6-9,11H2,1H3,(H,19,25)(H,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295215 (CHEMBL550382 | N-((1-methylpyrrolidin-3-yl)methyl)...) Show SMILES CN1CCC(CNC(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)C1 Show InChI InChI=1S/C17H19N5O2/c1-21-7-6-11(10-21)9-18-17(24)13-8-15-19-16(23)12-4-2-3-5-14(12)22(15)20-13/h2-5,8,11H,6-7,9-10H2,1H3,(H,18,24)(H,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295214 (CHEMBL559584 | N-(2-(1-morpholinocyclopentyl)ethyl...) Show SMILES O=C(NCCC1(CCCC1)N1CCOCC1)c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C22H27N5O3/c28-20-16-5-1-2-6-18(16)27-19(24-20)15-17(25-27)21(29)23-10-9-22(7-3-4-8-22)26-11-13-30-14-12-26/h1-2,5-6,15H,3-4,7-14H2,(H,23,29)(H,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295211 (2-phenylpyrazolo[1,5-a]quinazolin-5(4H)-one | CHEM...) Show SMILES O=c1[nH]c2cc(nn2c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C16H11N3O/c20-16-12-8-4-5-9-14(12)19-15(17-16)10-13(18-19)11-6-2-1-3-7-11/h1-10H,(H,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295212 (2-(2,3-dimethoxyphenyl)pyrazolo[1,5-a]quinazolin-5...) Show SMILES COc1cccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)c1OC Show InChI InChI=1S/C18H15N3O3/c1-23-15-9-5-7-11(17(15)24-2)13-10-16-19-18(22)12-6-3-4-8-14(12)21(16)20-13/h3-10H,1-2H3,(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295213 (CHEMBL550501 | N-(2-(dimethylamino)ethyl)-N-methyl...) Show SMILES CN(C)CCN(C)C(=O)c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C16H19N5O2/c1-19(2)8-9-20(3)16(23)12-10-14-17-15(22)11-6-4-5-7-13(11)21(14)18-12/h4-7,10H,8-9H2,1-3H3,(H,17,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295209 (CHEMBL550703 | N-(3-morpholinopropyl)-5-oxo-4,5-di...) Show SMILES O=C(NCCCN1CCOCC1)c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C18H21N5O3/c24-17-13-4-1-2-5-15(13)23-16(20-17)12-14(21-23)18(25)19-6-3-7-22-8-10-26-11-9-22/h1-2,4-5,12H,3,6-11H2,(H,19,25)(H,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295210 (CHEMBL563408 | N-(2-morpholinoethyl)-5-oxo-4,5-dih...) Show SMILES O=C(NCCN1CCOCC1)c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C17H19N5O3/c23-16-12-3-1-2-4-14(12)22-15(19-16)11-13(20-22)17(24)18-5-6-21-7-9-25-10-8-21/h1-4,11H,5-10H2,(H,18,24)(H,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295208 (2-(thiophen-2-yl)pyrazolo[1,5-a]quinazolin-5(4H)-o...) Show SMILES O=c1[nH]c2cc(nn2c2ccccc12)-c1cccs1 Show InChI InChI=1S/C14H9N3OS/c18-14-9-4-1-2-5-11(9)17-13(15-14)8-10(16-17)12-6-3-7-19-12/h1-8H,(H,15,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295175 (2-(furan-2-yl)pyrazolo[1,5-a]quinazolin-5(4H)-one ...) Show SMILES O=c1[nH]c2cc(nn2c2ccccc12)-c1ccco1 Show InChI InChI=1S/C14H9N3O2/c18-14-9-4-1-2-5-11(9)17-13(15-14)8-10(16-17)12-6-3-7-19-12/h1-8H,(H,15,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295178 (2-cyclohexylpyrazolo[1,5-a]quinazolin-5(4H)-one | ...) Show SMILES O=c1[nH]c2cc(nn2c2ccccc12)C1CCCCC1 Show InChI InChI=1S/C16H17N3O/c20-16-12-8-4-5-9-14(12)19-15(17-16)10-13(18-19)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295177 (2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]quinazolin-5...) Show SMILES COc1ccc(cc1OC)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C18H15N3O3/c1-23-15-8-7-11(9-16(15)24-2)13-10-17-19-18(22)12-5-3-4-6-14(12)21(17)20-13/h3-10H,1-2H3,(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295176 (2-(2,4-dimethoxyphenyl)pyrazolo[1,5-a]quinazolin-5...) Show SMILES COc1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)c(OC)c1 Show InChI InChI=1S/C18H15N3O3/c1-23-11-7-8-12(16(9-11)24-2)14-10-17-19-18(22)13-5-3-4-6-15(13)21(17)20-14/h3-10H,1-2H3,(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295181 (2-methylpyrazolo[1,5-a]quinazolin-5(4H)-one | CHEM...) Show SMILES Cc1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C11H9N3O/c1-7-6-10-12-11(15)8-4-2-3-5-9(8)14(10)13-7/h2-6H,1H3,(H,12,15)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295179 (2-(4-(cyclopropylmethyl)piperazine-1-carbonyl)pyra...) Show SMILES O=C(N1CCN(CC2CC2)CC1)c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C19H21N5O2/c25-18-14-3-1-2-4-16(14)24-17(20-18)11-15(21-24)19(26)23-9-7-22(8-10-23)12-13-5-6-13/h1-4,11,13H,5-10,12H2,(H,20,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295180 (2-(4-methylpiperazine-1-carbonyl)pyrazolo[1,5-a]qu...) Show SMILES CN1CCN(CC1)C(=O)c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C16H17N5O2/c1-19-6-8-20(9-7-19)16(23)12-10-14-17-15(22)11-4-2-3-5-13(11)21(14)18-12/h2-5,10H,6-9H2,1H3,(H,17,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295182 (2-isobutylpyrazolo[1,5-a]quinazolin-5(4H)-one | CH...) Show SMILES CC(C)Cc1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C14H15N3O/c1-9(2)7-10-8-13-15-14(18)11-5-3-4-6-12(11)17(13)16-10/h3-6,8-9H,7H2,1-2H3,(H,15,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295187 (2-p-tolylpyrazolo[1,5-a]quinazolin-5(4H)-one | CHE...) Show SMILES Cc1ccc(cc1)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C17H13N3O/c1-11-6-8-12(9-7-11)14-10-16-18-17(21)13-4-2-3-5-15(13)20(16)19-14/h2-10H,1H3,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295186 (2-(4-ethylphenyl)pyrazolo[1,5-a]quinazolin-5(4H)-o...) Show SMILES CCc1ccc(cc1)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C18H15N3O/c1-2-12-7-9-13(10-8-12)15-11-17-19-18(22)14-5-3-4-6-16(14)21(17)20-15/h3-11H,2H2,1H3,(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295184 (2-(4-chlorophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-...) Show SMILES Clc1ccc(cc1)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C16H10ClN3O/c17-11-7-5-10(6-8-11)13-9-15-18-16(21)12-3-1-2-4-14(12)20(15)19-13/h1-9H,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295185 (2-(3-chlorophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-...) Show SMILES Clc1cccc(c1)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C16H10ClN3O/c17-11-5-3-4-10(8-11)13-9-15-18-16(21)12-6-1-2-7-14(12)20(15)19-13/h1-9H,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295183 ((S)-2-(3-(octahydropyrrolo[1,2-a]pyrazine-2-carbon...) Show SMILES O=C(N1CCN2CCC[C@H]2C1)c1cccc(c1)-c1cc2[nH]c(=O)c3ccccc3n2n1 |r| Show InChI InChI=1S/C24H23N5O2/c30-23-19-8-1-2-9-21(19)29-22(25-23)14-20(26-29)16-5-3-6-17(13-16)24(31)28-12-11-27-10-4-7-18(27)15-28/h1-3,5-6,8-9,13-14,18H,4,7,10-12,15H2,(H,25,30)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295188 ((S)-2-(octahydropyrrolo[1,2-a]pyrazine-2-carbonyl)...) Show SMILES O=C(N1CCN2CCC[C@H]2C1)c1cc2[nH]c(=O)c3ccccc3n2n1 |r| Show InChI InChI=1S/C18H19N5O2/c24-17-13-5-1-2-6-15(13)23-16(19-17)10-14(20-23)18(25)22-9-8-21-7-3-4-12(21)11-22/h1-2,5-6,10,12H,3-4,7-9,11H2,(H,19,24)/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295189 (2-(3-bromophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-o...) Show SMILES Brc1cccc(c1)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C16H10BrN3O/c17-11-5-3-4-10(8-11)13-9-15-18-16(21)12-6-1-2-7-14(12)20(15)19-13/h1-9H,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295190 (2-(3-(morpholinomethyl)piperidine-1-carbonyl)pyraz...) Show SMILES O=C(N1CCCC(CN2CCOCC2)C1)c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C21H25N5O3/c27-20-16-5-1-2-6-18(16)26-19(22-20)12-17(23-26)21(28)25-7-3-4-15(14-25)13-24-8-10-29-11-9-24/h1-2,5-6,12,15H,3-4,7-11,13-14H2,(H,22,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295191 (2-(4-bromophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-o...) Show SMILES Brc1ccc(cc1)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C16H10BrN3O/c17-11-7-5-10(6-8-11)13-9-15-18-16(21)12-3-1-2-4-14(12)20(15)19-13/h1-9H,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295192 (CHEMBL552319 | N-(2-(dimethylamino)ethyl)-N-methyl...) Show SMILES CN(C)CCN(C)C(=O)c1cccc(c1)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C22H23N5O2/c1-25(2)11-12-26(3)22(29)16-8-6-7-15(13-16)18-14-20-23-21(28)17-9-4-5-10-19(17)27(20)24-18/h4-10,13-14H,11-12H2,1-3H3,(H,23,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295193 (CHEMBL562116 | N-(2-morpholinoethyl)-5-oxo-4,5-dih...) Show SMILES O=C(NCCN1CCOCC1)c1cnn2c1[nH]c(=O)c1ccccc21 Show InChI InChI=1S/C17H19N5O3/c23-16(18-5-6-21-7-9-25-10-8-21)13-11-19-22-14-4-2-1-3-12(14)17(24)20-15(13)22/h1-4,11H,5-10H2,(H,18,23)(H,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295197 (2-(3-(4-methylpiperazine-1-carbonyl)phenyl)pyrazol...) Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C22H21N5O2/c1-25-9-11-26(12-10-25)22(29)16-6-4-5-15(13-16)18-14-20-23-21(28)17-7-2-3-8-19(17)27(20)24-18/h2-8,13-14H,9-12H2,1H3,(H,23,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295195 (3-(4-methyl-1,4-diazepane-1-carbonyl)pyrazolo[1,5-...) Show SMILES CN1CCCN(CC1)C(=O)c1cnn2c1[nH]c(=O)c1ccccc21 Show InChI InChI=1S/C17H19N5O2/c1-20-7-4-8-21(10-9-20)17(24)13-11-18-22-14-6-3-2-5-12(14)16(23)19-15(13)22/h2-3,5-6,11H,4,7-10H2,1H3,(H,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295196 (3-(4-methylpiperazine-1-carbonyl)pyrazolo[1,5-a]qu...) Show SMILES CN1CCN(CC1)C(=O)c1cnn2c1[nH]c(=O)c1ccccc21 Show InChI InChI=1S/C16H17N5O2/c1-19-6-8-20(9-7-19)16(23)12-10-17-21-13-5-3-2-4-11(13)15(22)18-14(12)21/h2-5,10H,6-9H2,1H3,(H,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295207 (2-(4-propylphenyl)pyrazolo[1,5-a]quinazolin-5(4H)-...) Show SMILES CCCc1ccc(cc1)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C19H17N3O/c1-2-5-13-8-10-14(11-9-13)16-12-18-20-19(23)15-6-3-4-7-17(15)22(18)21-16/h3-4,6-12H,2,5H2,1H3,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295206 (2-(4-tert-butylphenyl)pyrazolo[1,5-a]quinazolin-5(...) Show SMILES CC(C)(C)c1ccc(cc1)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C20H19N3O/c1-20(2,3)14-10-8-13(9-11-14)16-12-18-21-19(24)15-6-4-5-7-17(15)23(18)22-16/h4-12H,1-3H3,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295205 (2-(3-fluorophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-...) Show SMILES Fc1cccc(c1)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C16H10FN3O/c17-11-5-3-4-10(8-11)13-9-15-18-16(21)12-6-1-2-7-14(12)20(15)19-13/h1-9H,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295204 (2-(4-fluorophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-...) Show SMILES Fc1ccc(cc1)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C16H10FN3O/c17-11-7-5-10(6-8-11)13-9-15-18-16(21)12-3-1-2-4-14(12)20(15)19-13/h1-9H,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295203 (2-(4-(trifluoromethoxy)phenyl)pyrazolo[1,5-a]quina...) Show SMILES FC(F)(F)Oc1ccc(cc1)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C17H10F3N3O2/c18-17(19,20)25-11-7-5-10(6-8-11)13-9-15-21-16(24)12-3-1-2-4-14(12)23(15)22-13/h1-9H,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295202 (4-(5-oxo-4,5-dihydropyrazolo[1,5-a]quinazolin-2-yl...) Show SMILES O=c1[nH]c2cc(nn2c2ccccc12)-c1ccc(cc1)C#N Show InChI InChI=1S/C17H10N4O/c18-10-11-5-7-12(8-6-11)14-9-16-19-17(22)13-3-1-2-4-15(13)21(16)20-14/h1-9H,(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295194 (3-(1,4-diazepane-1-carbonyl)pyrazolo[1,5-a]quinazo...) Show SMILES O=C(N1CCCNCC1)c1cnn2c1[nH]c(=O)c1ccccc21 Show InChI InChI=1S/C16H17N5O2/c22-15-11-4-1-2-5-13(11)21-14(19-15)12(10-18-21)16(23)20-8-3-6-17-7-9-20/h1-2,4-5,10,17H,3,6-9H2,(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295198 (2-(4-(morpholinomethyl)piperidine-1-carbonyl)pyraz...) Show SMILES O=C(N1CCC(CN2CCOCC2)CC1)c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C21H25N5O3/c27-20-16-3-1-2-4-18(16)26-19(22-20)13-17(23-26)21(28)25-7-5-15(6-8-25)14-24-9-11-29-12-10-24/h1-4,13,15H,5-12,14H2,(H,22,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295199 (CHEMBL557913 | N-(2-(dimethylamino)ethyl)-N-methyl...) Show SMILES CN(C)CCN(C)C(=O)c1ccc(cc1)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C22H23N5O2/c1-25(2)12-13-26(3)22(29)16-10-8-15(9-11-16)18-14-20-23-21(28)17-6-4-5-7-19(17)27(20)24-18/h4-11,14H,12-13H2,1-3H3,(H,23,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295200 (2-(4-(4-methylpiperazine-1-carbonyl)phenyl)pyrazol...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc2[nH]c(=O)c3ccccc3n2n1 Show InChI InChI=1S/C22H21N5O2/c1-25-10-12-26(13-11-25)22(29)16-8-6-15(7-9-16)18-14-20-23-21(28)17-4-2-3-5-19(17)27(20)24-18/h2-9,14H,10-13H2,1H3,(H,23,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50295201 ((S)-2-(4-(octahydropyrrolo[1,2-a]pyrazine-2-carbon...) Show SMILES O=C(N1CCN2CCC[C@H]2C1)c1ccc(cc1)-c1cc2[nH]c(=O)c3ccccc3n2n1 |r| Show InChI InChI=1S/C24H23N5O2/c30-23-19-5-1-2-6-21(19)29-22(25-23)14-20(26-29)16-7-9-17(10-8-16)24(31)28-13-12-27-11-3-4-18(27)15-28/h1-2,5-10,14,18H,3-4,11-13,15H2,(H,25,30)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM - Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 19: 4196-200 (2009) Article DOI: 10.1016/j.bmcl.2009.05.113 BindingDB Entry DOI: 10.7270/Q2MG7PHP
					More data for this Ligand-Target Pair