Compile Data Set for Download or QSAR

Found 1181 hits of ki data for polymerid = 232,50007027,8402,8405,8407,8409   

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))	BDBM213913 (BDBM214427 | US9283222, Table 3, Compound 20) Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F Show InChI InChI=1S/C22H25FN4O3/c1-14(28)26-8-10-27(11-9-26)22(30)18-12-15(6-7-19(18)23)13-20-16-4-2-3-5-17(16)21(29)25-24-20/h6-7,12H,2-5,8-11,13H2,1H3,(H,25,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM213913 (BDBM214427 | US9283222, Table 3, Compound 20) Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F Show InChI InChI=1S/C22H25FN4O3/c1-14(28)26-8-10-27(11-9-26)22(30)18-12-15(6-7-19(18)23)13-20-16-4-2-3-5-17(16)21(29)25-24-20/h6-7,12H,2-5,8-11,13H2,1H3,(H,25,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214629 (US9283222, 759) Show SMILES CN1CCN(CC1=O)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F Show InChI InChI=1S/C21H23FN4O3/c1-25-8-9-26(12-19(25)27)21(29)16-10-13(6-7-17(16)22)11-18-14-4-2-3-5-15(14)20(28)24-23-18/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387946 (CHEMBL2058928 | US9283222, 536) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C23H24FN7O2/c24-18-5-4-15(14-19-20-16(3-1-6-25-20)21(32)29-28-19)13-17(18)22(33)30-9-11-31(12-10-30)23-26-7-2-8-27-23/h2,4-5,7-8,13,25H,1,3,6,9-12,14H2,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387945 (CHEMBL2058927 | US9283222, 511) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1cnccn1 Show InChI InChI=1S/C23H24FN7O2/c24-18-4-3-15(13-19-21-16(2-1-5-27-21)22(32)29-28-19)12-17(18)23(33)31-10-8-30(9-11-31)20-14-25-6-7-26-20/h3-4,6-7,12,14,27H,1-2,5,8-11,13H2,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387945 (CHEMBL2058927 | US9283222, 511) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1cnccn1 Show InChI InChI=1S/C23H24FN7O2/c24-18-4-3-15(13-19-21-16(2-1-5-27-21)22(32)29-28-19)12-17(18)23(33)31-10-8-30(9-11-31)20-14-25-6-7-26-20/h3-4,6-7,12,14,27H,1-2,5,8-11,13H2,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214477 (US9283222, 581) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1N1C(=O)C[C@H](NC(=O)OCc2ccccc2)C1=O Show InChI InChI=1S/C27H25FN4O5/c28-20-11-10-17(12-21-18-8-4-5-9-19(18)25(34)31-30-21)13-23(20)32-24(33)14-22(26(32)35)29-27(36)37-15-16-6-2-1-3-7-16/h1-3,6-7,10-11,13,22H,4-5,8-9,12,14-15H2,(H,29,36)(H,31,34)/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214485 (US9283222, 591) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)COc1ccccc1 Show InChI InChI=1S/C27H28FN5O4/c28-22-9-8-18(16-23-25-20(7-4-10-29-25)26(35)31-30-23)15-21(22)27(36)33-13-11-32(12-14-33)24(34)17-37-19-5-2-1-3-6-19/h1-3,5-6,8-9,15,29H,4,7,10-14,16-17H2,(H,31,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387946 (CHEMBL2058928 | US9283222, 536) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C23H24FN7O2/c24-18-5-4-15(14-19-20-16(3-1-6-25-20)21(32)29-28-19)13-17(18)22(33)30-9-11-31(12-10-30)23-26-7-2-8-27-23/h2,4-5,7-8,13,25H,1,3,6,9-12,14H2,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50084621 (BMN 673 | Talazoparib) Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114109 BindingDB Entry DOI: 10.7270/Q2XK8KKJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214630 (US9283222, 761) Show SMILES CCN(CCNC(=O)C1CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F Show InChI InChI=1S/C24H29FN4O3/c1-2-29(12-11-26-22(30)16-8-9-16)24(32)19-13-15(7-10-20(19)25)14-21-17-5-3-4-6-18(17)23(31)28-27-21/h7,10,13,16H,2-6,8-9,11-12,14H2,1H3,(H,26,30)(H,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214533 (US9283222, 649) Show SMILES Oc1ccc(cn1)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C25H25FN6O4/c26-19-5-3-15(13-20-22-17(2-1-7-27-22)23(34)30-29-20)12-18(19)25(36)32-10-8-31(9-11-32)24(35)16-4-6-21(33)28-14-16/h3-6,12,14,27H,1-2,7-11,13H2,(H,28,33)(H,30,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214520 (US9283222, 633) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)C1COc2ccccc2O1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214624 (US9283222, 754) Show SMILES Cc1nc2cc(ccc2[nH]1)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F Show InChI InChI=1S/C29H29FN6O3/c1-17-31-24-9-7-19(16-26(24)32-17)28(38)35-10-12-36(13-11-35)29(39)22-14-18(6-8-23(22)30)15-25-20-4-2-3-5-21(20)27(37)34-33-25/h6-9,14,16H,2-5,10-13,15H2,1H3,(H,31,32)(H,34,37)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214580 (US9283222, 704) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)c1cc[nH]n1 Show InChI InChI=1S/C23H24FN7O3/c24-17-4-3-14(13-19-20-15(2-1-6-25-20)21(32)29-28-19)12-16(17)22(33)30-8-10-31(11-9-30)23(34)18-5-7-26-27-18/h3-5,7,12,25H,1-2,6,8-11,13H2,(H,26,27)(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM213905 (BDBM214387 | US9283222, Table 3, Compound 12) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1NC(=O)CCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C26H27FN4O3/c27-21-14-13-17(15-22-19-9-4-5-10-20(19)26(34)31-30-22)16-23(21)29-25(33)12-6-11-24(32)28-18-7-2-1-3-8-18/h1-3,7-8,13-14,16H,4-6,9-12,15H2,(H,28,32)(H,29,33)(H,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM213911 (BDBM214404 | US9283222, Table 3, Compound 18) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1C(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C24H25FN6O2/c25-20-7-6-16(15-21-17-4-1-2-5-18(17)22(32)29-28-21)14-19(20)23(33)30-10-12-31(13-11-30)24-26-8-3-9-27-24/h3,6-9,14H,1-2,4-5,10-13,15H2,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM213905 (BDBM214387 | US9283222, Table 3, Compound 12) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1NC(=O)CCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C26H27FN4O3/c27-21-14-13-17(15-22-19-9-4-5-10-20(19)26(34)31-30-22)16-23(21)29-25(33)12-6-11-24(32)28-18-7-2-1-3-8-18/h1-3,7-8,13-14,16H,4-6,9-12,15H2,(H,28,32)(H,29,33)(H,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214228 (US9283222, 291) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1N1C(=O)C2CC2C1=O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM213897 (BDBM213987 | US9283222, Table 3, Compound 4) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1NC(=O)C1CNC1 Show InChI InChI=1S/C19H21FN4O2/c20-15-6-5-11(8-17(15)22-18(25)12-9-21-10-12)7-16-13-3-1-2-4-14(13)19(26)24-23-16/h5-6,8,12,21H,1-4,7,9-10H2,(H,22,25)(H,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM213899 (BDBM214226 | US9283222, Table 3, Compound 6) Show SMILES COc1ccc(cc1)C(=O)CCC(=O)Nc1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F Show InChI InChI=1S/C26H26FN3O4/c1-34-18-9-7-17(8-10-18)24(31)12-13-25(32)28-23-15-16(6-11-21(23)27)14-22-19-4-2-3-5-20(19)26(33)30-29-22/h6-11,15H,2-5,12-14H2,1H3,(H,28,32)(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387941 (CHEMBL2058922 | US9283222, 556) Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C20H24FN5O4S/c1-31(29,30)26-9-7-25(8-10-26)20(28)15-11-13(4-5-16(15)21)12-17-18-14(3-2-6-22-18)19(27)24-23-17/h4-5,11,22H,2-3,6-10,12H2,1H3,(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387914 (CHEMBL2058682 | US9283222, 507) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1N1C(=O)CCCC1=O Show InChI InChI=1S/C19H19FN4O3/c20-13-7-6-11(10-15(13)24-16(25)4-1-5-17(24)26)9-14-18-12(3-2-8-21-18)19(27)23-22-14/h6-7,10,21H,1-5,8-9H2,(H,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM213911 (BDBM214404 | US9283222, Table 3, Compound 18) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1C(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C24H25FN6O2/c25-20-7-6-16(15-21-17-4-1-2-5-18(17)22(32)29-28-21)14-19(20)23(33)30-10-12-31(13-11-30)24-26-8-3-9-27-24/h3,6-9,14H,1-2,4-5,10-13,15H2,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM213899 (BDBM214226 | US9283222, Table 3, Compound 6) Show SMILES COc1ccc(cc1)C(=O)CCC(=O)Nc1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F Show InChI InChI=1S/C26H26FN3O4/c1-34-18-9-7-17(8-10-18)24(31)12-13-25(32)28-23-15-16(6-11-21(23)27)14-22-19-4-2-3-5-20(19)26(33)30-29-22/h6-11,15H,2-5,12-14H2,1H3,(H,28,32)(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM213897 (BDBM213987 | US9283222, Table 3, Compound 4) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1NC(=O)C1CNC1 Show InChI InChI=1S/C19H21FN4O2/c20-15-6-5-11(8-17(15)22-18(25)12-9-21-10-12)7-16-13-3-1-2-4-14(13)19(26)24-23-16/h5-6,8,12,21H,1-4,7,9-10H2,(H,22,25)(H,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214536 (US9283222, 655) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)c1ccc2nc[nH]c2c1 Show InChI InChI=1S/C27H26FN7O3/c28-20-5-3-16(13-23-24-18(2-1-7-29-24)25(36)33-32-23)12-19(20)27(38)35-10-8-34(9-11-35)26(37)17-4-6-21-22(14-17)31-15-30-21/h3-6,12,14-15,29H,1-2,7-11,13H2,(H,30,31)(H,33,36)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214531 (US9283222, 646) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)c1ccc(Cl)nc1 Show InChI InChI=1S/C25H24ClFN6O3/c26-21-6-4-16(14-29-21)24(35)32-8-10-33(11-9-32)25(36)18-12-15(3-5-19(18)27)13-20-22-17(2-1-7-28-22)23(34)31-30-20/h3-6,12,14,28H,1-2,7-11,13H2,(H,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214526 (US9283222, 640) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)C1CCCC1 Show InChI InChI=1S/C25H30FN5O3/c26-20-8-7-16(15-21-22-18(6-3-9-27-22)23(32)29-28-21)14-19(20)25(34)31-12-10-30(11-13-31)24(33)17-4-1-2-5-17/h7-8,14,17,27H,1-6,9-13,15H2,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214517 (US9283222, 630) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1N1C(=O)CNC1=O Show InChI InChI=1S/C18H17FN4O3/c19-13-6-5-10(8-15(13)23-16(24)9-20-18(23)26)7-14-11-3-1-2-4-12(11)17(25)22-21-14/h5-6,8H,1-4,7,9H2,(H,20,26)(H,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214493 (US9283222, 600) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C26H28FN5O5S/c1-37-18-5-7-19(8-6-18)38(35,36)32-13-11-31(12-14-32)26(34)21-15-17(4-9-22(21)27)16-23-24-20(3-2-10-28-24)25(33)30-29-23/h4-9,15,28H,2-3,10-14,16H2,1H3,(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214487 (US9283222, 594) Show SMILES CCS(=O)(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C21H26FN5O4S/c1-2-32(30,31)27-10-8-26(9-11-27)21(29)16-12-14(5-6-17(16)22)13-18-19-15(4-3-7-23-19)20(28)25-24-18/h5-6,12,23H,2-4,7-11,13H2,1H3,(H,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50300018 (2-(4-(Oxazol-5-yl)phenyl)-1H-benzo[d]imidazole-4-c...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cnco1 Show InChI InChI=1S/C17H12N4O2/c18-16(22)12-2-1-3-13-15(12)21-17(20-13)11-6-4-10(5-7-11)14-8-19-9-23-14/h1-9H,(H2,18,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation counting				J Med Chem 52: 6803-13 (2009) Article DOI: 10.1021/jm900697r BindingDB Entry DOI: 10.7270/Q2DN4548
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214589 (US9283222, 714) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1C(=O)NCCN1CCCC1=O Show InChI InChI=1S/C22H25FN4O3/c23-18-8-7-14(13-19-15-4-1-2-5-16(15)22(30)26-25-19)12-17(18)21(29)24-9-11-27-10-3-6-20(27)28/h7-8,12H,1-6,9-11,13H2,(H,24,29)(H,26,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214240 (US9283222, 303) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1N1C(=O)CCCC1=O Show InChI InChI=1S/C20H20FN3O3/c21-15-9-8-12(11-17(15)24-18(25)6-3-7-19(24)26)10-16-13-4-1-2-5-14(13)20(27)23-22-16/h8-9,11H,1-7,10H2,(H,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214456 (US9283222, 555) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(C=O)C(C1)N1CCOCC1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214409 (US9283222, 496) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1C(=O)N1CCN(CC1)c1cnccn1 Show InChI InChI=1S/C24H25FN6O2/c25-20-6-5-16(14-21-17-3-1-2-4-18(17)23(32)29-28-21)13-19(20)24(33)31-11-9-30(10-12-31)22-15-26-7-8-27-22/h5-8,13,15H,1-4,9-12,14H2,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214537 (US9283222, 657) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C29H27FN6O3/c30-23-8-7-18(15-25-26-21(5-3-9-31-26)27(37)34-33-25)14-22(23)29(39)36-12-10-35(11-13-36)28(38)20-16-19-4-1-2-6-24(19)32-17-20/h1-2,4,6-8,14,16-17,31H,3,5,9-13,15H2,(H,34,37)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387941 (CHEMBL2058922 | US9283222, 556) Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C20H24FN5O4S/c1-31(29,30)26-9-7-25(8-10-26)20(28)15-11-13(4-5-16(15)21)12-17-18-14(3-2-6-22-18)19(27)24-23-17/h4-5,11,22H,2-3,6-10,12H2,1H3,(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214454 (US9283222, 553) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C24H24FN5O4/c25-18-6-5-15(14-19-21-16(3-1-7-26-21)22(31)28-27-19)13-17(18)23(32)29-8-10-30(11-9-29)24(33)20-4-2-12-34-20/h2,4-6,12-13,26H,1,3,7-11,14H2,(H,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM213910 (BDBM214372 | US9283222, Table 3, Compound 17) Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1cccc(Cc2n[nH]c(=O)c3CCCCc23)c1 Show InChI InChI=1S/C24H26N6O2/c31-22-20-8-2-1-7-19(20)21(27-28-22)16-17-5-3-6-18(15-17)23(32)29-11-13-30(14-12-29)24-25-9-4-10-26-24/h3-6,9-10,15H,1-2,7-8,11-14,16H2,(H,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM213910 (BDBM214372 | US9283222, Table 3, Compound 17) Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1cccc(Cc2n[nH]c(=O)c3CCCCc23)c1 Show InChI InChI=1S/C24H26N6O2/c31-22-20-8-2-1-7-19(20)21(27-28-22)16-17-5-3-6-18(15-17)23(32)29-11-13-30(14-12-29)24-25-9-4-10-26-24/h3-6,9-10,15H,1-2,7-8,11-14,16H2,(H,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214490 (US9283222, 597) Show SMILES CCC(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C22H26FN5O3/c1-2-19(29)27-8-10-28(11-9-27)22(31)16-12-14(5-6-17(16)23)13-18-20-15(4-3-7-24-20)21(30)26-25-18/h5-6,12,24H,2-4,7-11,13H2,1H3,(H,26,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387914 (CHEMBL2058682 | US9283222, 507) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1N1C(=O)CCCC1=O Show InChI InChI=1S/C19H19FN4O3/c20-13-7-6-11(10-15(13)24-16(25)4-1-5-17(24)26)9-14-18-12(3-2-8-21-18)19(27)23-22-14/h6-7,10,21H,1-5,8-9H2,(H,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387935 (CHEMBL2058916 | US9283222, 607) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCNC(=O)C1 Show InChI InChI=1S/C19H20FN5O3/c20-14-4-3-11(8-13(14)19(28)25-7-6-21-16(26)10-25)9-15-17-12(2-1-5-22-17)18(27)24-23-15/h3-4,8,22H,1-2,5-7,9-10H2,(H,21,26)(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214519 (US9283222, 632) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ncncn1 Show InChI InChI=1S/C22H23FN8O2/c23-17-4-3-14(11-18-19-15(2-1-5-25-19)20(32)29-28-18)10-16(17)21(33)30-6-8-31(9-7-30)22-26-12-24-13-27-22/h3-4,10,12-13,25H,1-2,5-9,11H2,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214460 (US9283222, 562) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H26FN5O4S/c26-21-9-8-17(16-22-23-19(7-4-10-27-23)24(32)29-28-22)15-20(21)25(33)30-11-13-31(14-12-30)36(34,35)18-5-2-1-3-6-18/h1-3,5-6,8-9,15,27H,4,7,10-14,16H2,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387935 (CHEMBL2058916 | US9283222, 607) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCNC(=O)C1 Show InChI InChI=1S/C19H20FN5O3/c20-14-4-3-11(8-13(14)19(28)25-7-6-21-16(26)10-25)9-15-17-12(2-1-5-22-17)18(27)24-23-15/h3-4,8,22H,1-2,5-7,9-10H2,(H,21,26)(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387938 (CHEMBL2058919) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)C(F)(F)F Show InChI InChI=1S/C21H21F4N5O3/c22-15-4-3-12(11-16-17-13(2-1-5-26-17)18(31)28-27-16)10-14(15)19(32)29-6-8-30(9-7-29)20(33)21(23,24)25/h3-4,10,26H,1-2,5-9,11H2,(H,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM214407 (US9283222, 494) Show SMILES CN(C)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F Show InChI InChI=1S/C23H28FN5O3/c1-27(2)23(32)29-11-9-28(10-12-29)22(31)18-13-15(7-8-19(18)24)14-20-16-5-3-4-6-17(16)21(30)26-25-20/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,26,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair

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