Compile Data Set for Download or QSAR

Found 76 hits Enz. Inhib. hit(s) with all data for entry = 50012536   

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))	BDBM50120247 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H21N3O4S/c26-19(16-6-5-14-3-1-2-4-15(14)11-16)12-23-20(27)7-9-25-18-8-10-30-13-17(18)21(28)24-22(25)29/h1-6,11H,7-10,12-13H2,(H,23,27)(H,24,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit human recombinant Poly (ADP-ribose) polymerase 1 was determined using doseresponse inhibition				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120236 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C23H22N4O4S/c28-20(16-5-3-15(4-6-16)17-2-1-9-24-12-17)13-25-21(29)7-10-27-19-8-11-32-14-18(19)22(30)26-23(27)31/h1-6,9,12H,7-8,10-11,13-14H2,(H,25,29)(H,26,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120246 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C22H26N4O4S/c27-19(15-3-5-16(6-4-15)25-9-1-2-10-25)13-23-20(28)7-11-26-18-8-12-31-14-17(18)21(29)24-22(26)30/h3-6H,1-2,7-14H2,(H,23,28)(H,24,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120257 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C25H25N3O5S/c1-33-19-8-6-17(7-9-19)16-2-4-18(5-3-16)22(29)14-26-23(30)10-12-28-21-11-13-34-15-20(21)24(31)27-25(28)32/h2-9H,10-15H2,1H3,(H,26,30)(H,27,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120269 (CHEMBL322133 | N-[2-(4-Bromo-phenyl)-2-oxo-ethyl]-...) Show SMILES Brc1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C18H18BrN3O4S/c19-12-3-1-11(2-4-12)15(23)9-20-16(24)5-7-22-14-6-8-27-10-13(14)17(25)21-18(22)26/h1-4H,5-10H2,(H,20,24)(H,21,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120237 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C23H22N4O4S/c28-20(17-3-1-15(2-4-17)16-5-9-24-10-6-16)13-25-21(29)7-11-27-19-8-12-32-14-18(19)22(30)26-23(27)31/h1-6,9-10H,7-8,11-14H2,(H,25,29)(H,26,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120262 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C23H29N5O5S/c1-33-17-4-2-16(3-5-17)26-9-11-27(12-10-26)21(30)14-24-20(29)6-8-28-19-7-13-34-15-18(19)22(31)25-23(28)32/h2-5H,6-15H2,1H3,(H,24,29)(H,25,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120244 (CHEMBL108341 | N-(2-Biphenyl-4-yl-2-oxo-ethyl)-3-(...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H23N3O4S/c28-21(18-8-6-17(7-9-18)16-4-2-1-3-5-16)14-25-22(29)10-12-27-20-11-13-32-15-19(20)23(30)26-24(27)31/h1-9H,10-15H2,(H,25,29)(H,26,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120262 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C23H29N5O5S/c1-33-17-4-2-16(3-5-17)26-9-11-27(12-10-26)21(30)14-24-20(29)6-8-28-19-7-13-34-15-18(19)22(31)25-23(28)32/h2-5H,6-15H2,1H3,(H,24,29)(H,25,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120251 (CHEMBL108702 | N-[2-(3'-Amino-biphenyl-4-yl)-2-oxo...) Show SMILES Nc1cccc(c1)-c1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C24H24N4O4S/c25-18-3-1-2-17(12-18)15-4-6-16(7-5-15)21(29)13-26-22(30)8-10-28-20-9-11-33-14-19(20)23(31)27-24(28)32/h1-7,12H,8-11,13-14,25H2,(H,26,30)(H,27,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120267 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C20H25N7O4S/c28-16(2-6-27-15-3-11-32-13-14(15)18(30)24-20(27)31)23-12-17(29)25-7-9-26(10-8-25)19-21-4-1-5-22-19/h1,4-5H,2-3,6-13H2,(H,23,28)(H,24,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120261 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1cccnn1 Show InChI InChI=1S/C20H25N7O4S/c28-17(3-6-27-15-4-11-32-13-14(15)19(30)23-20(27)31)21-12-18(29)26-9-7-25(8-10-26)16-2-1-5-22-24-16/h1-2,5H,3-4,6-13H2,(H,21,28)(H,23,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120239 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES FC(F)(F)c1ccnc(c1)N1CCN(CC1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C22H25F3N6O4S/c23-22(24,25)14-1-4-26-17(11-14)29-6-8-30(9-7-29)19(33)12-27-18(32)2-5-31-16-3-10-36-13-15(16)20(34)28-21(31)35/h1,4,11H,2-3,5-10,12-13H2,(H,27,32)(H,28,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120242 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(cc1)-c1cncnc1 Show InChI InChI=1S/C22H21N5O4S/c28-19(15-3-1-14(2-4-15)16-9-23-13-24-10-16)11-25-20(29)5-7-27-18-6-8-32-12-17(18)21(30)26-22(27)31/h1-4,9-10,13H,5-8,11-12H2,(H,25,29)(H,26,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120274 (3-(2,4-Dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1...) Show SMILES O=C(CCn1c2CCCCc2c(=O)[nH]c1=O)NCC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H23N3O4/c27-20(17-10-9-15-5-1-2-6-16(15)13-17)14-24-21(28)11-12-26-19-8-4-3-7-18(19)22(29)25-23(26)30/h1-2,5-6,9-10,13H,3-4,7-8,11-12,14H2,(H,24,28)(H,25,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120254 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(cc1)-c1cccnn1 Show InChI InChI=1S/C22H21N5O4S/c28-19(15-5-3-14(4-6-15)17-2-1-9-24-26-17)12-23-20(29)7-10-27-18-8-11-32-13-16(18)21(30)25-22(27)31/h1-6,9H,7-8,10-13H2,(H,23,29)(H,25,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120265 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES COc1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C19H21N3O5S/c1-27-13-4-2-12(3-5-13)16(23)10-20-17(24)6-8-22-15-7-9-28-11-14(15)18(25)21-19(22)26/h2-5H,6-11H2,1H3,(H,20,24)(H,21,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120277 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H23N3O5S/c28-21(16-6-8-18(9-7-16)32-17-4-2-1-3-5-17)14-25-22(29)10-12-27-20-11-13-33-15-19(20)23(30)26-24(27)31/h1-9H,10-15H2,(H,25,29)(H,26,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120256 (CHEMBL110115 | N-[2-(4-Difluoromethoxy-phenyl)-2-o...) Show SMILES FC(F)Oc1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C19H19F2N3O5S/c20-18(21)29-12-3-1-11(2-4-12)15(25)9-22-16(26)5-7-24-14-6-8-30-10-13(14)17(27)23-19(24)28/h1-4,18H,5-10H2,(H,22,26)(H,23,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120238 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C22H27N5O4S/c28-19(6-8-27-18-7-13-32-15-17(18)21(30)24-22(27)31)23-14-20(29)26-11-9-25(10-12-26)16-4-2-1-3-5-16/h1-5H,6-15H2,(H,23,28)(H,24,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120253 (Benzoic acid 4-{2-[3-(2,4-dioxo-3,4,7,8-tetrahydro...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(OC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C25H23N3O6S/c29-21(16-6-8-18(9-7-16)34-24(32)17-4-2-1-3-5-17)14-26-22(30)10-12-28-20-11-13-35-15-19(20)23(31)27-25(28)33/h1-9H,10-15H2,(H,26,30)(H,27,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120241 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C21H26N6O4S/c28-18(4-7-27-16-5-12-32-14-15(16)20(30)24-21(27)31)23-13-19(29)26-10-8-25(9-11-26)17-3-1-2-6-22-17/h1-3,6H,4-5,7-14H2,(H,23,28)(H,24,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120272 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES FC(F)(F)c1cccnc1N1CCN(CC1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C22H25F3N6O4S/c23-22(24,25)15-2-1-5-26-19(15)30-9-7-29(8-10-30)18(33)12-27-17(32)3-6-31-16-4-11-36-13-14(16)20(34)28-21(31)35/h1-2,5H,3-4,6-13H2,(H,27,32)(H,28,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120249 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C21H26N6O4S/c28-18(3-7-27-17-4-12-32-14-16(17)20(30)24-21(27)31)23-13-19(29)26-10-8-25(9-11-26)15-1-5-22-6-2-15/h1-2,5-6H,3-4,7-14H2,(H,23,28)(H,24,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120266 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncncn1 Show InChI InChI=1S/C19H24N8O4S/c28-15(1-3-27-14-2-8-32-10-13(14)17(30)24-19(27)31)21-9-16(29)25-4-6-26(7-5-25)18-22-11-20-12-23-18/h11-12H,1-10H2,(H,21,28)(H,24,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120273 (2-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(Cn1c2CCSCc2c(=O)[nH]c1=O)NCCC(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C20H25N7O4S/c28-16(12-27-15-3-11-32-13-14(15)18(30)24-20(27)31)21-6-2-17(29)25-7-9-26(10-8-25)19-22-4-1-5-23-19/h1,4-5H,2-3,6-13H2,(H,21,28)(H,24,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120260 (CHEMBL111606 | N-[2-(4-Chloro-phenyl)-2-oxo-ethyl]...) Show SMILES Clc1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C18H18ClN3O4S/c19-12-3-1-11(2-4-12)15(23)9-20-16(24)5-7-22-14-6-8-27-10-13(14)17(25)21-18(22)26/h1-4H,5-10H2,(H,20,24)(H,21,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120252 (CHEMBL322957 | N-[2-(3-Bromo-phenyl)-2-oxo-ethyl]-...) Show SMILES Brc1cccc(c1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C18H18BrN3O4S/c19-12-3-1-2-11(8-12)15(23)9-20-16(24)4-6-22-14-5-7-27-10-13(14)17(25)21-18(22)26/h1-3,8H,4-7,9-10H2,(H,20,24)(H,21,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120235 (CHEMBL107616 | N-(2-Biphenyl-3-yl-2-oxo-ethyl)-3-(...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C24H23N3O4S/c28-21(18-8-4-7-17(13-18)16-5-2-1-3-6-16)14-25-22(29)9-11-27-20-10-12-32-15-19(20)23(30)26-24(27)31/h1-8,13H,9-12,14-15H2,(H,25,29)(H,26,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120240 (CHEMBL410733 | N-{2-[4-(3-Amino-pyridin-2-yl)-pipe...) Show SMILES Nc1cccnc1N1CCN(CC1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C21H27N7O4S/c22-15-2-1-5-23-19(15)27-9-7-26(8-10-27)18(30)12-24-17(29)3-6-28-16-4-11-33-13-14(16)20(31)25-21(28)32/h1-2,5H,3-4,6-13,22H2,(H,24,29)(H,25,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120268 (CHEMBL421605 | N-[2-(4-Bromo-phenyl)-2-oxo-ethyl]-...) Show SMILES Brc1ccc(cc1)C(=O)CNC(=O)CCn1c2CCCCc2c(=O)[nH]c1=O Show InChI InChI=1S/C19H20BrN3O4/c20-13-7-5-12(6-8-13)16(24)11-21-17(25)9-10-23-15-4-2-1-3-14(15)18(26)22-19(23)27/h5-8H,1-4,9-11H2,(H,21,25)(H,22,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120278 (3-(2,4-Dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1...) Show SMILES O=C(CCn1c2CCCCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H27N7O4/c29-17(6-9-28-16-5-2-1-4-15(16)19(31)25-21(28)32)24-14-18(30)26-10-12-27(13-11-26)20-22-7-3-8-23-20/h3,7-8H,1-2,4-6,9-14H2,(H,24,29)(H,25,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120255 (2-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(Cn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C19H23N7O4S/c27-15(11-26-14-2-9-31-12-13(14)17(29)23-19(26)30)22-10-16(28)24-5-7-25(8-6-24)18-20-3-1-4-21-18/h1,3-4H,2,5-12H2,(H,22,27)(H,23,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120243 (3-(2,4-Dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1...) Show SMILES O=C(CCn1c2CCCCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C23H29N5O4/c29-20(10-11-28-19-9-5-4-8-18(19)22(31)25-23(28)32)24-16-21(30)27-14-12-26(13-15-27)17-6-2-1-3-7-17/h1-3,6-7H,4-5,8-16H2,(H,24,29)(H,25,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120263 (6-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCCCCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C23H31N7O4S/c31-19(26-15-20(32)28-10-12-29(13-11-28)22-24-7-4-8-25-22)5-2-1-3-9-30-18-6-14-35-16-17(18)21(33)27-23(30)34/h4,7-8H,1-3,5-6,9-16H2,(H,26,31)(H,27,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120275 (3-(2,4-Dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1...) Show SMILES COc1ccc(cc1)C(=O)CNC(=O)CCn1c2CCCCc2c(=O)[nH]c1=O Show InChI InChI=1S/C20H23N3O5/c1-28-14-8-6-13(7-9-14)17(24)12-21-18(25)10-11-23-16-5-3-2-4-15(16)19(26)22-20(23)27/h6-9H,2-5,10-12H2,1H3,(H,21,25)(H,22,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120264 (3-(2,4-Dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1...) Show SMILES CN(CC(=O)c1ccc2ccccc2c1)C(=O)CCn1c2CCCCc2c(=O)[nH]c1=O Show InChI InChI=1S/C24H25N3O4/c1-26(15-21(28)18-11-10-16-6-2-3-7-17(16)14-18)22(29)12-13-27-20-9-5-4-8-19(20)23(30)25-24(27)31/h2-3,6-7,10-11,14H,4-5,8-9,12-13,15H2,1H3,(H,25,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120245 (3-(2,4-Dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1...) Show SMILES O=C(CCn1c2CCCCc2c(=O)[nH]c1=O)NCC(=O)c1ccccc1 Show InChI InChI=1S/C19H21N3O4/c23-16(13-6-2-1-3-7-13)12-20-17(24)10-11-22-15-9-5-4-8-14(15)18(25)21-19(22)26/h1-3,6-7H,4-5,8-12H2,(H,20,24)(H,21,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120271 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-pyrano[4,3-d...) Show SMILES O=C(CCn1c2CCOCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C20H25N7O5/c28-16(2-6-27-15-3-11-32-13-14(15)18(30)24-20(27)31)23-12-17(29)25-7-9-26(10-8-25)19-21-4-1-5-22-19/h1,4-5H,2-3,6-13H2,(H,23,28)(H,24,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120248 (3-(2,4-Dioxo-2,3,4,5,6,7,8,9-octahydro-cycloheptap...) Show SMILES O=C(CCn1c2CCCCCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C22H29N7O4/c30-18(7-10-29-17-6-3-1-2-5-16(17)20(32)26-22(29)33)25-15-19(31)27-11-13-28(14-12-27)21-23-8-4-9-24-21/h4,8-9H,1-3,5-7,10-15H2,(H,25,30)(H,26,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120259 (3-(2,4-Dioxo-2,3,4,5,8,9-hexahydro-cycloheptapyrim...) Show SMILES O=C(CCn1c2CCC=CCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncccn1 |c:8| Show InChI InChI=1S/C22H27N7O4/c30-18(7-10-29-17-6-3-1-2-5-16(17)20(32)26-22(29)33)25-15-19(31)27-11-13-28(14-12-27)21-23-8-4-9-24-21/h1-2,4,8-9H,3,5-7,10-15H2,(H,25,30)(H,26,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120250 (1-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-5,6,...) Show SMILES O=c1[nH]c(=O)n(CCCCN2CCN(CC2)c2ncccn2)c2CCCCc12 Show InChI InChI=1S/C20H28N6O2/c27-18-16-6-1-2-7-17(16)26(20(28)23-18)11-4-3-10-24-12-14-25(15-13-24)19-21-8-5-9-22-19/h5,8-9H,1-4,6-7,10-15H2,(H,23,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120258 (3-(2,4-Dioxo-2,3,4,5,6,7-hexahydro-cyclopentapyrim...) Show SMILES O=C(CCn1c2CCCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C20H25N7O4/c28-16(5-8-27-15-4-1-3-14(15)18(30)24-20(27)31)23-13-17(29)25-9-11-26(12-10-25)19-21-6-2-7-22-19/h2,6-7H,1,3-5,8-13H2,(H,23,28)(H,24,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit human recombinant Poly (ADP-ribose) polymerase 1 was determined using doseresponse inhibition				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120270 (3-(2,4-Dioxo-2,3,4,5,10,11-hexahydro-cyclononapyri...) Show SMILES O=C(CCn1c2CC\C=C/C=C\Cc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncccn1 |c:8,10| Show InChI InChI=1S/C24H29N7O4/c32-20(27-17-21(33)29-13-15-30(16-14-29)23-25-10-6-11-26-23)9-12-31-19-8-5-3-1-2-4-7-18(19)22(34)28-24(31)35/h1-4,6,10-11H,5,7-9,12-17H2,(H,27,32)(H,28,34,35)/b3-1-,4-2-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120276 (3-(2,4-Dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1...) Show SMILES CC(CC(=O)NCC(=O)c1ccc2ccccc2c1)n1c2CCCCc2c(=O)[nH]c1=O Show InChI InChI=1S/C24H25N3O4/c1-15(27-20-9-5-4-8-19(20)23(30)26-24(27)31)12-22(29)25-14-21(28)18-11-10-16-6-2-3-7-17(16)13-18/h2-3,6-7,10-11,13,15H,4-5,8-9,12,14H2,1H3,(H,25,29)(H,26,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120237 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C23H22N4O4S/c28-20(17-3-1-15(2-4-17)16-5-9-24-10-6-16)13-25-21(29)7-11-27-19-8-12-32-14-18(19)22(30)26-23(27)31/h1-6,9-10H,7-8,11-14H2,(H,25,29)(H,26,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120241 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C21H26N6O4S/c28-18(4-7-27-16-5-12-32-14-15(16)20(30)24-21(27)31)23-13-19(29)26-10-8-25(9-11-26)17-3-1-2-6-22-17/h1-3,6H,4-5,7-14H2,(H,23,28)(H,24,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120246 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C22H26N4O4S/c27-19(15-3-5-16(6-4-15)25-9-1-2-10-25)13-23-20(28)7-11-26-18-8-12-31-14-17(18)21(29)24-22(26)30/h3-6H,1-2,7-14H2,(H,23,28)(H,24,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120260 (CHEMBL111606 | N-[2-(4-Chloro-phenyl)-2-oxo-ethyl]...) Show SMILES Clc1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C18H18ClN3O4S/c19-12-3-1-11(2-4-12)15(23)9-20-16(24)5-7-22-14-6-8-27-10-13(14)17(25)21-18(22)26/h1-4H,5-10H2,(H,20,24)(H,21,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120251 (CHEMBL108702 | N-[2-(3'-Amino-biphenyl-4-yl)-2-oxo...) Show SMILES Nc1cccc(c1)-c1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C24H24N4O4S/c25-18-3-1-2-17(12-18)15-4-6-16(7-5-15)21(29)13-26-22(30)8-10-28-20-9-11-33-14-19(20)23(31)27-24(28)32/h1-7,12H,8-11,13-14,25H2,(H,26,30)(H,27,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair

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