Compile Data Set for Download or QSAR

Found 213 hits of kd data for polymerid = 232   

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))	BDBM27566 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Binding affinity to recombinant human HisGST-tagged PARP-1 catalytic domain by surface plasmon resonance analysis				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))	BDBM27566 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant human PARP-1 by SPR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00735 BindingDB Entry DOI: 10.7270/Q2BC43DN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50586805 (CHEMBL5083950) Show SMILES CC[C@@H]1CN(CCN1CC1CC1)C(=O)c1cc(Cn2c3ccccc3c(=O)[nH]c2=O)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant human PARP1 assessed as dissociation constant by SPR assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01522 BindingDB Entry DOI: 10.7270/Q2KK9GRT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27566 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01012 BindingDB Entry DOI: 10.7270/Q2Z03D7J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50316226 ((S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01012 BindingDB Entry DOI: 10.7270/Q2Z03D7J
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01012 BindingDB Entry DOI: 10.7270/Q2Z03D7J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27135 (2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...) Show SMILES C[C@@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1 |r| Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Binding affinity to recombinant human HisGST-tagged PARP-1 catalytic domain by surface plasmon resonance analysis				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))	BDBM50586797 (CHEMBL5089136) Show SMILES CC[C@@H]1CN(CCN1CC)C(=O)c1cc(Cn2c3ccccc3c(=O)[nH]c2=O)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant human PARP1 assessed as dissociation constant by SPR assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01522 BindingDB Entry DOI: 10.7270/Q2KK9GRT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM209932 (2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-...) Show SMILES C[C@@]1(CCCN1)c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01012 BindingDB Entry DOI: 10.7270/Q2Z03D7J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50438244 (CHEMBL2408002) Show SMILES CC1Oc2ccc(CN3CCC(=CC3)c3ccc(Cl)cc3)cc2NC1=O |c:11| Show InChI InChI=1S/C21H21ClN2O2/c1-14-21(25)23-19-12-15(2-7-20(19)26-14)13-24-10-8-17(9-11-24)16-3-5-18(22)6-4-16/h2-8,12,14H,9-11,13H2,1H3,(H,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance assay				Bioorg Med Chem Lett 23: 4501-5 (2013) Article DOI: 10.1016/j.bmcl.2013.06.055 BindingDB Entry DOI: 10.7270/Q2TT4SC9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50446130 (AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucap...) Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 Show InChI InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)	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	n/a	3.20	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01012 BindingDB Entry DOI: 10.7270/Q2Z03D7J
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	8.60	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Binding affinity to recombinant human HisGST-tagged PARP-1 catalytic domain by surface plasmon resonance analysis				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))	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	n/a	9	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PARP-1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00735 BindingDB Entry DOI: 10.7270/Q2BC43DN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM466548 (US10800739, Compound (29) | US11420940, cpd (29)) Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCCCC3)C(=O)c12 Show InChI InChI=1S/C20H26FN3O2/c21-14-10-13-12-24(20(26)18(13)17(11-14)19(22)25)16-6-8-23(9-7-16)15-4-2-1-3-5-15/h10-11,15-16H,1-9,12H2,(H2,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...				Citation and Details BindingDB Entry DOI: 10.7270/Q20G3PCS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM466534 (US10800739, Compound (11) | US11420940, cpd (11)) Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)C3CCCCC3)C(=O)c12 Show InChI InChI=1S/C20H27N3O2/c21-19(24)17-8-4-5-14-13-23(20(25)18(14)17)16-9-11-22(12-10-16)15-6-2-1-3-7-15/h4-5,8,15-16H,1-3,6-7,9-13H2,(H2,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...				Citation and Details BindingDB Entry DOI: 10.7270/Q20G3PCS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM466548 (US10800739, Compound (29) | US11420940, cpd (29)) Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCCCC3)C(=O)c12 Show InChI InChI=1S/C20H26FN3O2/c21-14-10-13-12-24(20(26)18(13)17(11-14)19(22)25)16-6-8-23(9-7-16)15-4-2-1-3-5-15/h10-11,15-16H,1-9,12H2,(H2,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Preferably, for the screening method above cited, both the PARP protein and the 5H-phenanthridin-6-one-derived probe of formula (IP) are pre-mixed, o...				US Patent US10800739 (2020) BindingDB Entry DOI: 10.7270/Q2BP05VW
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM466534 (US10800739, Compound (11) | US11420940, cpd (11)) Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)C3CCCCC3)C(=O)c12 Show InChI InChI=1S/C20H27N3O2/c21-19(24)17-8-4-5-14-13-23(20(25)18(14)17)16-9-11-22(12-10-16)15-6-2-1-3-7-15/h4-5,8,15-16H,1-3,6-7,9-13H2,(H2,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Preferably, for the screening method above cited, both the PARP protein and the 5H-phenanthridin-6-one-derived probe of formula (IP) are pre-mixed, o...				US Patent US10800739 (2020) BindingDB Entry DOI: 10.7270/Q2BP05VW
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240714 (US9422243, 12) Show SMILES NCCOc1c([nH]c(=O)c2c(F)c(F)ccc12)-c1ccc(Br)cc1 Show InChI InChI=1S/C17H13BrF2N2O2/c18-10-3-1-9(2-4-10)15-16(24-8-7-21)11-5-6-12(19)14(20)13(11)17(23)22-15/h1-6H,7-8,21H2,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM124961 (US8765972, 20) Show SMILES CC1N(C2CCN(Cc3cccs3)CC2)C(=O)c2c1cccc2C(N)=O Show InChI InChI=1S/C20H23N3O2S/c1-13-16-5-2-6-17(19(21)24)18(16)20(25)23(13)14-7-9-22(10-8-14)12-15-4-3-11-26-15/h2-6,11,13-14H,7-10,12H2,1H3,(H2,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	10	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 US8765972 (2014) BindingDB Entry DOI: 10.7270/Q24F1PDC
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240711 (US9422243, 8) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H14ClFN2O2/c18-11-3-1-10(2-4-11)15-16(23-8-7-20)13-6-5-12(19)9-14(13)17(22)21-15/h1-6,9H,7-8,20H2,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240709 (US9422243, 6) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(cc1)C#N Show InChI InChI=1S/C18H14FN3O2/c19-13-5-6-14-15(9-13)18(23)22-16(17(14)24-8-7-20)12-3-1-11(10-21)2-4-12/h1-6,9H,7-8,20H2,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240708 (US9422243, 5) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1cccc(Br)c1 Show InChI InChI=1S/C17H14BrFN2O2/c18-11-3-1-2-10(8-11)15-16(23-7-6-20)13-5-4-12(19)9-14(13)17(22)21-15/h1-5,8-9H,6-7,20H2,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240707 (US9422243, 4) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(N2CCOCC2)c(Br)c1 Show InChI InChI=1S/C21H21BrFN3O3/c22-17-11-13(1-4-18(17)26-6-9-28-10-7-26)19-20(29-8-5-24)15-3-2-14(23)12-16(15)21(27)25-19/h1-4,11-12H,5-10,24H2,(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM124950 (US8765972, 3) Show SMILES CC1N(C2CCN(CC2)C2CCCCC2)C(=O)c2c1cccc2C(N)=O Show InChI InChI=1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	10	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 US8765972 (2014) BindingDB Entry DOI: 10.7270/Q24F1PDC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM124951 (US8765972, 4) Show SMILES C[C@@H]1N(C2CCN(CC2)C2CCCCC2)C(=O)c2c1cccc2C(N)=O |r| Show InChI InChI=1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	10	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 US8765972 (2014) BindingDB Entry DOI: 10.7270/Q24F1PDC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM124959 (US8765972, 18) Show SMILES CC1N(C2CCN(CC2)C2CCC2)C(=O)c2c1cccc2C(N)=O Show InChI InChI=1S/C19H25N3O2/c1-12-15-6-3-7-16(18(20)23)17(15)19(24)22(12)14-8-10-21(11-9-14)13-4-2-5-13/h3,6-7,12-14H,2,4-5,8-11H2,1H3,(H2,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	10	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 US8765972 (2014) BindingDB Entry DOI: 10.7270/Q24F1PDC
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240721 (US9422243, 21) Show SMILES COc1ccc(cc1F)-c1[nH]c(=O)c2cc(F)ccc2c1OCCN Show InChI InChI=1S/C18H16F2N2O3/c1-24-15-5-2-10(8-14(15)20)16-17(25-7-6-21)12-4-3-11(19)9-13(12)18(23)22-16/h2-5,8-9H,6-7,21H2,1H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240715 (US9422243, 13) Show SMILES Cc1cc(ccc1Cl)-c1[nH]c(=O)c2cc(F)ccc2c1OCCN Show InChI InChI=1S/C18H16ClFN2O2/c1-10-8-11(2-5-15(10)19)16-17(24-7-6-21)13-4-3-12(20)9-14(13)18(23)22-16/h2-5,8-9H,6-7,21H2,1H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					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	n/a	<10	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 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	n/a	<10	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 US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					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	n/a	<10	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 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	n/a	<10	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 US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167420 (US9073893, 20) Show SMILES NC(=O)c1cc(F)cc2[nH]n(C3CCNCC3)c(=O)c12 Show InChI InChI=1S/C13H15FN4O2/c14-7-5-9(12(15)19)11-10(6-7)17-18(13(11)20)8-1-3-16-4-2-8/h5-6,8,16-17H,1-4H2,(H2,15,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	<10	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 US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167421 (US9073893, 21) Show SMILES Cn1n(C2CCNCC2)c(=O)c2c(cc(F)cc12)C(N)=O Show InChI InChI=1S/C14H17FN4O2/c1-18-11-7-8(15)6-10(13(16)20)12(11)14(21)19(18)9-2-4-17-5-3-9/h6-7,9,17H,2-5H2,1H3,(H2,16,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	<10	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 US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
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	n/a	<10	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 US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240717 (US9422243, 15) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C17H13F3N2O2/c18-10-2-3-11-12(8-10)17(23)22-15(16(11)24-6-5-21)9-1-4-13(19)14(20)7-9/h1-4,7-8H,5-6,21H2,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240716 (US9422243, 14) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H13Cl2FN2O2/c18-13-4-1-9(7-14(13)19)15-16(24-6-5-21)11-3-2-10(20)8-12(11)17(23)22-15/h1-4,7-8H,5-6,21H2,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					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	n/a	<10	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 US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240704 (US9422243, 1) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(Br)cc1 Show InChI InChI=1S/C17H14BrFN2O2/c18-11-3-1-10(2-4-11)15-16(23-8-7-20)13-6-5-12(19)9-14(13)17(22)21-15/h1-6,9H,7-8,20H2,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					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	n/a	11	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 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	n/a	11	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 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	n/a	14	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 US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167431 (US9073893, 67) Show SMILES Cn1n(C2CCN(Cc3ccco3)CC2)c(=O)c2c(cccc12)C(N)=O Show InChI InChI=1S/C19H22N4O3/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	n/a	15	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 US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50438245 (CHEMBL2408001) Show SMILES Clc1ccc(cc1)C1=CCN(Cc2ccc3OCC(=O)Nc3c2)CC1 |t:8| Show InChI InChI=1S/C20H19ClN2O2/c21-17-4-2-15(3-5-17)16-7-9-23(10-8-16)12-14-1-6-19-18(11-14)22-20(24)13-25-19/h1-7,11H,8-10,12-13H2,(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance assay				Bioorg Med Chem Lett 23: 4501-5 (2013) Article DOI: 10.1016/j.bmcl.2013.06.055 BindingDB Entry DOI: 10.7270/Q2TT4SC9
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM124951 (US8765972, 4) Show SMILES C[C@@H]1N(C2CCN(CC2)C2CCCCC2)C(=O)c2c1cccc2C(N)=O |r| Show InChI InChI=1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25)/t14-/m0/s1	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	n/a	16	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Binding affinity to human recombinant His/GST-tagged PARP1 catalytic domain (655-end residues) by surface plasma resonance method				ACS Med Chem Lett 10: 534-538 (2019) Article DOI: 10.1021/acsmedchemlett.8b00569 BindingDB Entry DOI: 10.7270/Q2VQ365G
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	16	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Binding affinity to recombinant human HisGST-tagged PARP-1 catalytic domain by surface plasmon resonance analysis				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))	BDBM27533 (4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)pht...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCCNCC1 Show InChI InChI=1S/C21H21FN4O2/c22-18-7-6-14(12-17(18)21(28)26-10-3-8-23-9-11-26)13-19-15-4-1-2-5-16(15)20(27)25-24-19/h1-2,4-7,12,23H,3,8-11,13H2,(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a
Institutet Curated by ChEMBL					Assay Description Binding affinity to human PARP1 by isothermal titration colorimetry				J Med Chem 52: 3108-11 (2009) Article DOI: 10.1021/jm900052j BindingDB Entry DOI: 10.7270/Q2B56JNV
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240720 (US9422243, 20) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C18H15FN2O4/c19-11-2-3-12-13(8-11)18(22)21-16(17(12)23-6-5-20)10-1-4-14-15(7-10)25-9-24-14/h1-4,7-8H,5-6,9,20H2,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM124960 (US8765972, 19) Show SMILES CC1N(C2CCN(Cc3ccc[nH]3)CC2)C(=O)c2c1cccc2C(N)=O Show InChI InChI=1S/C20H24N4O2/c1-13-16-5-2-6-17(19(21)25)18(16)20(26)24(13)15-7-10-23(11-8-15)12-14-4-3-9-22-14/h2-6,9,13,15,22H,7-8,10-12H2,1H3,(H2,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	20	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 US8765972 (2014) BindingDB Entry DOI: 10.7270/Q24F1PDC
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240713 (US9422243, 11) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1cccc(c1)C#N Show InChI InChI=1S/C18H14FN3O2/c19-13-4-5-14-15(9-13)18(23)22-16(17(14)24-7-6-20)12-3-1-2-11(8-12)10-21/h1-5,8-9H,6-7,20H2,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair

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