Compile Data Set for Download or QSAR

Found 441 hits with Last Name = 'krasavin' and Initial = 'my'   

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 (Mus musculus)	BDBM138348 (US8877944, 99) Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12 Show InChI InChI=1S/C20H24F3N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167422 (US9073893, 22) Show SMILES Cn1n(C2CCN(CC2)C2CCCCC2)c(=O)c2c(cc(F)cc12)C(N)=O Show InChI InChI=1S/C20H27FN4O2/c1-23-17-12-13(21)11-16(19(22)26)18(17)20(27)25(23)15-7-9-24(10-8-15)14-5-3-2-4-6-14/h11-12,14-15H,2-10H2,1H3,(H2,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167419 (US9073893, 18) Show SMILES Cn1n(C2CCN(CC2)C2CCC2)c(=O)c2c(cccc12)C(N)=O Show InChI InChI=1S/C18H24N4O2/c1-20-15-7-3-6-14(17(19)23)16(15)18(24)22(20)13-8-10-21(11-9-13)12-4-2-5-12/h3,6-7,12-13H,2,4-5,8-11H2,1H3,(H2,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167412 (US9073893, 5) Show SMILES Cn1n(C2CCN(CC2)C2CCCCC2)c(=O)c2c(cccc12)C(N)=O Show InChI InChI=1S/C20H28N4O2/c1-22-17-9-5-8-16(19(21)25)18(17)20(26)24(22)15-10-12-23(13-11-15)14-6-3-2-4-7-14/h5,8-9,14-15H,2-4,6-7,10-13H2,1H3,(H2,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM138348 (US8877944, 99) Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12 Show InChI InChI=1S/C20H24F3N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...				J Med Chem 58: 6875-98 (2015) Article DOI: 10.1021/acs.jmedchem.5b00680 BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM138344 (US8877944, 49) Show SMILES Cc1cccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)c1 Show InChI InChI=1S/C23H27N3O2/c1-16-4-2-5-18(12-16)13-25-10-8-17(9-11-25)14-26-15-19-6-3-7-20(22(24)27)21(19)23(26)28/h2-7,12,17H,8-11,13-15H2,1H3,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...				J Med Chem 58: 6875-98 (2015) Article DOI: 10.1021/acs.jmedchem.5b00680 BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138344 (US8877944, 49) Show SMILES Cc1cccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)c1 Show InChI InChI=1S/C23H27N3O2/c1-16-4-2-5-18(12-16)13-25-10-8-17(9-11-25)14-26-15-19-6-3-7-20(22(24)27)21(19)23(26)28/h2-7,12,17H,8-11,13-15H2,1H3,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167427 (US9073893, 65) Show SMILES Cn1n(C2CCN(CC3CCC=CC3)CC2)c(=O)c2c(cccc12)C(N)=O |c:11| Show InChI InChI=1S/C21H28N4O2/c1-23-18-9-5-8-17(20(22)26)19(18)21(27)25(23)16-10-12-24(13-11-16)14-15-6-3-2-4-7-15/h2-3,5,8-9,15-16H,4,6-7,10-14H2,1H3,(H2,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167416 (US9073893, 9) Show SMILES Cn1n(C2CCNCC2)c(=O)c2c(cccc12)C(N)=O Show InChI InChI=1S/C14H18N4O2/c1-17-11-4-2-3-10(13(15)19)12(11)14(20)18(17)9-5-7-16-8-6-9/h2-4,9,16H,5-8H2,1H3,(H2,15,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167426 (US9073893, 62) Show SMILES NC(=O)c1cccc2[nH]n(C3CCN(Cc4cccs4)CC3)c(=O)c12 Show InChI InChI=1S/C18H20N4O2S/c19-17(23)14-4-1-5-15-16(14)18(24)22(20-15)12-6-8-21(9-7-12)11-13-3-2-10-25-13/h1-5,10,12,20H,6-9,11H2,(H2,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138354 (US8877944, 105) Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(Cl)(Cl)CC3)C(=O)c12 Show InChI InChI=1S/C20H24Cl2FN3O2/c21-20(22)5-1-14(2-6-20)25-7-3-15(4-8-25)26-11-12-9-13(23)10-16(18(24)27)17(12)19(26)28/h9-10,14-15H,1-8,11H2,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138342 (US8877944, 47) Show SMILES Cc1ccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)cc1 Show InChI InChI=1S/C23H27N3O2/c1-16-5-7-17(8-6-16)13-25-11-9-18(10-12-25)14-26-15-19-3-2-4-20(22(24)27)21(19)23(26)28/h2-8,18H,9-15H2,1H3,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138349 (US8877944, 103) Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(=O)CC3)C(=O)c12 Show InChI InChI=1S/C20H24FN3O3/c21-13-9-12-11-24(20(27)18(12)17(10-13)19(22)26)15-5-7-23(8-6-15)14-1-3-16(25)4-2-14/h9-10,14-15H,1-8,11H2,(H2,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM138354 (US8877944, 105) Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(Cl)(Cl)CC3)C(=O)c12 Show InChI InChI=1S/C20H24Cl2FN3O2/c21-20(22)5-1-14(2-6-20)25-7-3-15(4-8-25)26-11-12-9-13(23)10-16(18(24)27)17(12)19(26)28/h9-10,14-15H,1-8,11H2,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...				J Med Chem 58: 6875-98 (2015) Article DOI: 10.1021/acs.jmedchem.5b00680 BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138302 (US8877944, 4) Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)[C@H]3CC[C@H](CO)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(-5.63,-2.69,;-6.96,-1.93,;-8.29,-2.69,;-6.96,-.38,;-8.29,.38,;-8.29,1.93,;-6.96,2.69,;-5.63,1.93,;-4.16,2.4,;-3.26,1.15,;-1.72,1.15,;-.95,-.18,;.59,-.18,;1.36,1.15,;.59,2.49,;-.95,2.49,;2.9,1.15,;3.67,2.49,;5.21,2.49,;5.98,1.15,;7.52,1.15,;8.29,-.18,;5.21,-.18,;3.67,-.18,;-4.16,-.09,;-3.39,-1.42,;-5.63,.38,)| Show InChI InChI=1S/C21H29N3O3/c22-20(26)18-3-1-2-15-12-24(21(27)19(15)18)17-8-10-23(11-9-17)16-6-4-14(13-25)5-7-16/h1-3,14,16-17,25H,4-13H2,(H2,22,26)/t14-,16-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167424 (US9073893, 31) Show SMILES NC(=O)c1cccc2[nH]n(C3CCN(CC4CCCCC4)CC3)c(=O)c12 Show InChI InChI=1S/C20H28N4O2/c21-19(25)16-7-4-8-17-18(16)20(26)24(22-17)15-9-11-23(12-10-15)13-14-5-2-1-3-6-14/h4,7-8,14-15,22H,1-3,5-6,9-13H2,(H2,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167413 (US9073893, 6) Show SMILES Cn1n(C2CCN(CC2)C2CCC(F)(F)CC2)c(=O)c2c(cccc12)C(N)=O Show InChI InChI=1S/C20H26F2N4O2/c1-24-16-4-2-3-15(18(23)27)17(16)19(28)26(24)14-7-11-25(12-8-14)13-5-9-20(21,22)10-6-13/h2-4,13-14H,5-12H2,1H3,(H2,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138325 (US8877944, 29) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc5[nH]ccc5c4)CC3)C(=O)c12 Show InChI InChI=1S/C23H24N4O2/c24-22(28)19-3-1-2-17-14-27(23(29)21(17)19)18-7-10-26(11-8-18)13-15-4-5-20-16(12-15)6-9-25-20/h1-6,9,12,18,25H,7-8,10-11,13-14H2,(H2,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM138325 (US8877944, 29) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc5[nH]ccc5c4)CC3)C(=O)c12 Show InChI InChI=1S/C23H24N4O2/c24-22(28)19-3-1-2-17-14-27(23(29)21(17)19)18-7-10-26(11-8-18)13-15-4-5-20-16(12-15)6-9-25-20/h1-6,9,12,18,25H,7-8,10-11,13-14H2,(H2,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...				J Med Chem 58: 6875-98 (2015) Article DOI: 10.1021/acs.jmedchem.5b00680 BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM138327 (US8877944, 31) Show SMILES Cc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1 Show InChI InChI=1S/C22H25N3O2/c1-15-5-7-16(8-6-15)13-24-11-9-18(10-12-24)25-14-17-3-2-4-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...				J Med Chem 58: 6875-98 (2015) Article DOI: 10.1021/acs.jmedchem.5b00680 BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138327 (US8877944, 31) Show SMILES Cc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1 Show InChI InChI=1S/C22H25N3O2/c1-15-5-7-16(8-6-15)13-24-11-9-18(10-12-24)25-14-17-3-2-4-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167414 (US9073893, 7) Show SMILES Cn1n(C2CCN(CC2)C2CCCC2)c(=O)c2c(cccc12)C(N)=O Show InChI InChI=1S/C19H26N4O2/c1-21-16-8-4-7-15(18(20)24)17(16)19(25)23(21)14-9-11-22(12-10-14)13-5-2-3-6-13/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3,(H2,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167417 (US9073893, 14) Show SMILES CC(C)N1CCC(CC1)n1n(C)c2cccc(C(N)=O)c2c1=O Show InChI InChI=1S/C17H24N4O2/c1-11(2)20-9-7-12(8-10-20)21-17(23)15-13(16(18)22)5-4-6-14(15)19(21)3/h4-6,11-12H,7-10H2,1-3H3,(H2,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167430 (US9073893, 63) Show SMILES Cn1n(C2CCN(Cc3cccs3)CC2)c(=O)c2c(cccc12)C(N)=O Show InChI InChI=1S/C19H22N4O2S/c1-21-16-6-2-5-15(18(20)24)17(16)19(25)23(21)13-7-9-22(10-8-13)12-14-4-3-11-26-14/h2-6,11,13H,7-10,12H2,1H3,(H2,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138301 (US8877944, 3) Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)[C@@H]3CC[C@H](CO)CC3)C(=O)c12 |r,wU:16.16,19.20,(-5.63,-2.7,;-6.96,-1.93,;-8.29,-2.7,;-6.96,-.39,;-8.29,.39,;-8.29,1.93,;-6.96,2.7,;-5.63,1.93,;-4.16,2.4,;-3.26,1.16,;-1.72,1.16,;-.95,-.18,;.59,-.18,;1.36,1.16,;.59,2.49,;-.95,2.49,;2.9,1.16,;3.67,-.18,;5.21,-.18,;5.98,1.16,;7.52,1.16,;8.29,-.18,;5.21,2.49,;3.67,2.49,;-4.16,-.09,;-3.39,-1.42,;-5.63,.39,)| Show InChI InChI=1S/C21H29N3O3/c22-20(26)18-3-1-2-15-12-24(21(27)19(15)18)17-8-10-23(11-9-17)16-6-4-14(13-25)5-7-16/h1-3,14,16-17,25H,4-13H2,(H2,22,26)/t14-,16+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167411 (US9073893, 4) Show SMILES NC(=O)c1cccc2[nH]n(C3CCN(CC3)C3CCC(F)(F)CC3)c(=O)c12 Show InChI InChI=1S/C19H24F2N4O2/c20-19(21)8-4-12(5-9-19)24-10-6-13(7-11-24)25-18(27)16-14(17(22)26)2-1-3-15(16)23-25/h1-3,12-13,23H,4-11H2,(H2,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167428 (US9073893, 64) Show SMILES NC(=O)c1cccc2[nH]n(C3CCN(CC4CCC=CC4)CC3)c(=O)c12 |c:18| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM138298 (US8877944, 7) Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12 Show InChI InChI=1S/C20H25F2N3O2/c21-20(22)8-4-14(5-9-20)24-10-6-15(7-11-24)25-12-13-2-1-3-16(18(23)26)17(13)19(25)27/h1-3,14-15H,4-12H2,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...				J Med Chem 58: 6875-98 (2015) Article DOI: 10.1021/acs.jmedchem.5b00680 BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138346 (US8877944, 51) Show SMILES NC(=O)c1cccc2CN(CC3CCN(Cc4ccc(F)cc4)CC3)C(=O)c12 Show InChI InChI=1S/C22H24FN3O2/c23-18-6-4-15(5-7-18)12-25-10-8-16(9-11-25)13-26-14-17-2-1-3-19(21(24)27)20(17)22(26)28/h1-7,16H,8-14H2,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138300 (US8877944, 2) Show SMILES CO[C@H]1CC[C@@H](CC1)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O |r,wU:5.8,wD:2.1,(8.29,-.18,;7.52,1.16,;5.98,1.16,;5.21,2.49,;3.67,2.49,;2.9,1.16,;3.67,-.18,;5.21,-.18,;1.36,1.16,;.59,-.18,;-.95,-.18,;-1.72,1.16,;-.95,2.49,;.59,2.49,;-3.26,1.16,;-4.16,2.4,;-5.63,1.93,;-6.96,2.7,;-8.29,1.93,;-8.29,.39,;-6.96,-.39,;-6.96,-1.93,;-5.63,-2.7,;-8.29,-2.7,;-5.63,.39,;-4.16,-.09,;-3.39,-1.42,)| Show InChI InChI=1S/C21H29N3O3/c1-27-17-7-5-15(6-8-17)23-11-9-16(10-12-23)24-13-14-3-2-4-18(20(22)25)19(14)21(24)26/h2-4,15-17H,5-13H2,1H3,(H2,22,25)/t15-,17-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138324 (US8877944, 28) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccc5[nH]ccc45)CC3)C(=O)c12 Show InChI InChI=1S/C23H24N4O2/c24-22(28)19-5-1-4-16-14-27(23(29)21(16)19)17-8-11-26(12-9-17)13-15-3-2-6-20-18(15)7-10-25-20/h1-7,10,17,25H,8-9,11-14H2,(H2,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167425 (US9073893, 33) Show SMILES Cn1n(C2CCN(CC3CCCCC3)CC2)c(=O)c2c(cccc12)C(N)=O Show InChI InChI=1S/C21H30N4O2/c1-23-18-9-5-8-17(20(22)26)19(18)21(27)25(23)16-10-12-24(13-11-16)14-15-6-3-2-4-7-15/h5,8-9,15-16H,2-4,6-7,10-14H2,1H3,(H2,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138322 (US8877944, 26) Show SMILES Cc1ncsc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O Show InChI InChI=1S/C19H22N4O2S/c1-12-16(26-11-21-12)10-22-7-5-14(6-8-22)23-9-13-3-2-4-15(18(20)24)17(13)19(23)25/h2-4,11,14H,5-10H2,1H3,(H2,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50110830 (CHEMBL3605978) Show SMILES NC(=O)c1cccc2CN(CCCN3CCCCC3)C(=O)c12 Show InChI InChI=1S/C17H23N3O2/c18-16(21)14-7-4-6-13-12-20(17(22)15(13)14)11-5-10-19-8-2-1-3-9-19/h4,6-7H,1-3,5,8-12H2,(H2,18,21)	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
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...				J Med Chem 58: 6875-98 (2015) Article DOI: 10.1021/acs.jmedchem.5b00680 BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167410 (US9073893, 3) Show SMILES NC(=O)c1cccc2[nH]n(C3CCN(CC3)C3CCCCC3)c(=O)c12 Show InChI InChI=1S/C19H26N4O2/c20-18(24)15-7-4-8-16-17(15)19(25)23(21-16)14-9-11-22(12-10-14)13-5-2-1-3-6-13/h4,7-8,13-14,21H,1-3,5-6,9-12H2,(H2,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138332 (US8877944, 36) Show SMILES Cc1ccsc1CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O Show InChI InChI=1S/C20H23N3O2S/c1-13-7-10-26-17(13)12-22-8-5-15(6-9-22)23-11-14-3-2-4-16(19(21)24)18(14)20(23)25/h2-4,7,10,15H,5-6,8-9,11-12H2,1H3,(H2,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167429 (US9073893, 66) Show SMILES NC(=O)c1cccc2[nH]n(C3CCN(Cc4ccco4)CC3)c(=O)c12 Show InChI InChI=1S/C18H20N4O3/c19-17(23)14-4-1-5-15-16(14)18(24)22(20-15)12-6-8-21(9-7-12)11-13-3-2-10-25-13/h1-5,10,12,20H,6-9,11H2,(H2,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167409 (US9073893, 2) Show SMILES NC(=O)c1cccc2[nH]n(C3CCN(CC3)C3CCCC3)c(=O)c12 Show InChI InChI=1S/C18H24N4O2/c19-17(23)14-6-3-7-15-16(14)18(24)22(20-15)13-8-10-21(11-9-13)12-4-1-2-5-12/h3,6-7,12-13,20H,1-2,4-5,8-11H2,(H2,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138333 (US8877944, 37) Show SMILES CCCOc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1 Show InChI InChI=1S/C24H29N3O3/c1-2-14-30-20-8-6-17(7-9-20)15-26-12-10-19(11-13-26)27-16-18-4-3-5-21(23(25)28)22(18)24(27)29/h3-9,19H,2,10-16H2,1H3,(H2,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138334 (US8877944, 38) Show SMILES CC(C)c1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1 Show InChI InChI=1S/C24H29N3O2/c1-16(2)18-8-6-17(7-9-18)14-26-12-10-20(11-13-26)27-15-19-4-3-5-21(23(25)28)22(19)24(27)29/h3-9,16,20H,10-15H2,1-2H3,(H2,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138326 (US8877944, 30) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc5cc[nH]c5c4)CC3)C(=O)c12 Show InChI InChI=1S/C23H24N4O2/c24-22(28)19-3-1-2-17-14-27(23(29)21(17)19)18-7-10-26(11-8-18)13-15-4-5-16-6-9-25-20(16)12-15/h1-6,9,12,18,25H,7-8,10-11,13-14H2,(H2,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138331 (US8877944, 35) Show SMILES COc1cccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c1 Show InChI InChI=1S/C22H25N3O3/c1-28-18-6-2-4-15(12-18)13-24-10-8-17(9-11-24)25-14-16-5-3-7-19(21(23)26)20(16)22(25)27/h2-7,12,17H,8-11,13-14H2,1H3,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138323 (US8877944, 27) Show SMILES NC(=O)c1cccc2CN(C3CCN(CC4CCN(Cc5ccccc5)CC4)CC3)C(=O)c12 Show InChI InChI=1S/C27H34N4O2/c28-26(32)24-8-4-7-22-19-31(27(33)25(22)24)23-11-15-30(16-12-23)18-21-9-13-29(14-10-21)17-20-5-2-1-3-6-20/h1-8,21,23H,9-19H2,(H2,28,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138335 (US8877944, 39) Show SMILES COc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1 Show InChI InChI=1S/C22H25N3O3/c1-28-18-7-5-15(6-8-18)13-24-11-9-17(10-12-24)25-14-16-3-2-4-19(21(23)26)20(16)22(25)27/h2-8,17H,9-14H2,1H3,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138298 (US8877944, 7) Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12 Show InChI InChI=1S/C20H25F2N3O2/c21-20(22)8-4-14(5-9-20)24-10-6-15(7-11-24)25-12-13-2-1-3-16(18(23)26)17(13)19(25)27/h1-3,14-15H,4-12H2,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167423 (US9073893, 23) Show SMILES NC(=O)c1cc(F)cc2[nH]n(C3CCN(CC3)C3CCCCC3)c(=O)c12 Show InChI InChI=1S/C19H25FN4O2/c20-12-10-15(18(21)25)17-16(11-12)22-24(19(17)26)14-6-8-23(9-7-14)13-4-2-1-3-5-13/h10-11,13-14,22H,1-9H2,(H2,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138341 (US8877944, 45) Show SMILES Cc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)s1 Show InChI InChI=1S/C20H23N3O2S/c1-13-5-6-16(26-13)12-22-9-7-15(8-10-22)23-11-14-3-2-4-17(19(21)24)18(14)20(23)25/h2-6,15H,7-12H2,1H3,(H2,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50110809 (CHEMBL3606008 | US11420940, cpd (15)) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccccn4)CC3)C(=O)c12 Show InChI InChI=1S/C20H22N4O2/c21-19(25)17-6-3-4-14-12-24(20(26)18(14)17)16-7-10-23(11-8-16)13-15-5-1-2-9-22-15/h1-6,9,16H,7-8,10-13H2,(H2,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...				J Med Chem 58: 6875-98 (2015) Article DOI: 10.1021/acs.jmedchem.5b00680 BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138328 (US8877944, 32) Show SMILES CC(C)n1cc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c2ccccc12 Show InChI InChI=1S/C26H30N4O2/c1-17(2)29-16-19(21-7-3-4-9-23(21)29)14-28-12-10-20(11-13-28)30-15-18-6-5-8-22(25(27)31)24(18)26(30)32/h3-9,16-17,20H,10-15H2,1-2H3,(H2,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138299 (US8877944, 1) Show SMILES CO[C@H]1CC[C@H](CC1)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O |r,wU:5.8,2.1,(8.29,-.18,;7.52,1.16,;5.98,1.16,;5.21,-.18,;3.67,-.18,;2.9,1.16,;3.67,2.49,;5.21,2.49,;1.36,1.16,;.59,-.18,;-.95,-.18,;-1.72,1.16,;-.95,2.49,;.59,2.49,;-3.26,1.16,;-4.16,2.4,;-5.63,1.93,;-6.96,2.7,;-8.29,1.93,;-8.29,.39,;-6.96,-.39,;-6.96,-1.93,;-5.63,-2.7,;-8.29,-2.7,;-5.63,.39,;-4.16,-.09,;-3.39,-1.42,)| Show InChI InChI=1S/C21H29N3O3/c1-27-17-7-5-15(6-8-17)23-11-9-16(10-12-23)24-13-14-3-2-4-18(20(22)25)19(14)21(24)26/h2-4,15-17H,5-13H2,1H3,(H2,22,25)/t15-,17+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair

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