Compile Data Set for Download or QSAR

Found 34 hits of ic50 data for polymerid = 5692   

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
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50306253 (1-(2-(pyridin-3-yl)acetyl)-2,3,9,9a-tetrahydro-1H-...) Show SMILES O=C(Cc1cccnc1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C18H17N3O2/c22-16(9-12-3-2-7-19-10-12)21-8-6-13-4-1-5-14-17(13)15(21)11-20-18(14)23/h1-5,7,10,15H,6,8-9,11H2,(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP3				Bioorg Med Chem Lett 20: 448-52 (2010) Article DOI: 10.1016/j.bmcl.2009.12.002 BindingDB Entry DOI: 10.7270/Q2GT5N91
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM206061 (US9255106, S3) Show SMILES CC1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	66.9	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50306256 (1-(3-(pyrazin-2-yl)propanoyl)-2,3,9,9a-tetrahydro-...) Show SMILES O=C(CCc1cnccn1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C18H18N4O2/c23-16(5-4-13-10-19-7-8-20-13)22-9-6-12-2-1-3-14-17(12)15(22)11-21-18(14)24/h1-3,7-8,10,15H,4-6,9,11H2,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP3				Bioorg Med Chem Lett 20: 448-52 (2010) Article DOI: 10.1016/j.bmcl.2009.12.002 BindingDB Entry DOI: 10.7270/Q2GT5N91
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM103558 (ME0328) Show SMILES C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University					Assay Description Experiments todetermine IC50 values were conducted with compound concentrationsin the range between 10 nM and 450 μM with a DMSO concentrationof...				ACS Chem Biol 8: 1698-703 (2013) Article DOI: 10.1021/cb4002014 BindingDB Entry DOI: 10.7270/Q2668BS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM103558 (ME0328) Show SMILES C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of full length ATRD3 (unknown origin)				J Med Chem 56: 9556-68 (2014) Article DOI: 10.1021/jm401394u BindingDB Entry DOI: 10.7270/Q2Q52R32
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50444033 (CHEMBL3092553) Show SMILES OC[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H21N3O3/c24-13-15(12-14-6-2-1-3-7-14)21-19(25)11-10-18-22-17-9-5-4-8-16(17)20(26)23-18/h1-9,15,24H,10-13H2,(H,21,25)(H,22,23,26)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of full length ATRD3 (unknown origin)				J Med Chem 56: 9556-68 (2014) Article DOI: 10.1021/jm401394u BindingDB Entry DOI: 10.7270/Q2Q52R32
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM103556 (ME0355) Show SMILES C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 |r| Show InChI InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of full length ATRD3 (unknown origin)				J Med Chem 56: 9556-68 (2014) Article DOI: 10.1021/jm401394u BindingDB Entry DOI: 10.7270/Q2Q52R32
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Labs Rome Curated by ChEMBL					Assay Description Inhibition of human PARP3 by trichloroacetic acid precipitation assay				J Med Chem 52: 7170-85 (2009) Article DOI: 10.1021/jm901188v BindingDB Entry DOI: 10.7270/Q2DN457M
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM103556 (ME0355) Show SMILES C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 |r| Show InChI InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University					Assay Description Experiments todetermine IC50 values were conducted with compound concentrationsin the range between 10 nM and 450 μM with a DMSO concentrationof...				ACS Chem Biol 8: 1698-703 (2013) Article DOI: 10.1021/cb4002014 BindingDB Entry DOI: 10.7270/Q2668BS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50444034 (CHEMBL3092544) Show SMILES CC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C20H21N3O2/c1-2-16(14-8-4-3-5-9-14)22-19(24)13-12-18-21-17-11-7-6-10-15(17)20(25)23-18/h3-11,16H,2,12-13H2,1H3,(H,22,24)(H,21,23,25)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of full length ATRD3 (unknown origin)				J Med Chem 56: 9556-68 (2014) Article DOI: 10.1021/jm401394u BindingDB Entry DOI: 10.7270/Q2Q52R32
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50444027 (CHEMBL3092523) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r| Show InChI InChI=1S/C21H21N3O4/c1-28-21(27)17(13-14-7-3-2-4-8-14)23-19(25)12-11-18-22-16-10-6-5-9-15(16)20(26)24-18/h2-10,17H,11-13H2,1H3,(H,23,25)(H,22,24,26)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of full length ATRD3 (unknown origin)				J Med Chem 56: 9556-68 (2014) Article DOI: 10.1021/jm401394u BindingDB Entry DOI: 10.7270/Q2Q52R32
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50444028 (CHEMBL3092522) Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H20N4O3/c21-19(26)16(12-13-6-2-1-3-7-13)23-18(25)11-10-17-22-15-9-5-4-8-14(15)20(27)24-17/h1-9,16H,10-12H2,(H2,21,26)(H,23,25)(H,22,24,27)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of full length ATRD3 (unknown origin)				J Med Chem 56: 9556-68 (2014) Article DOI: 10.1021/jm401394u BindingDB Entry DOI: 10.7270/Q2Q52R32
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM103554 (STO1131 | US8551988, 39) Show SMILES CC(NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 Show InChI InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University					Assay Description Experiments todetermine IC50 values were conducted with compound concentrationsin the range between 10 nM and 450 μM with a DMSO concentrationof...				ACS Chem Biol 8: 1698-703 (2013) Article DOI: 10.1021/cb4002014 BindingDB Entry DOI: 10.7270/Q2668BS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50444029 (CHEMBL3092521) Show SMILES CC[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r| Show InChI InChI=1S/C15H19N3O3/c1-2-10(9-19)16-14(20)8-7-13-17-12-6-4-3-5-11(12)15(21)18-13/h3-6,10,19H,2,7-9H2,1H3,(H,16,20)(H,17,18,21)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of full length ATRD3 (unknown origin)				J Med Chem 56: 9556-68 (2014) Article DOI: 10.1021/jm401394u BindingDB Entry DOI: 10.7270/Q2Q52R32
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50434127 (CHEMBL2381633) Show SMILES Cc1cc(=O)[nH]c2cc(ccc12)-c1ccccc1F Show InChI InChI=1S/C16H12FNO/c1-10-8-16(19)18-15-9-11(6-7-12(10)15)13-4-2-3-5-14(13)17/h2-9H,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanyang Technological University Curated by ChEMBL					Assay Description Inhibition of PARP3 (unknown origin)				J Med Chem 56: 4497-508 (2013) Article DOI: 10.1021/jm400211f BindingDB Entry DOI: 10.7270/Q23R0V82
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50434157 (CHEMBL2381958 | US9340549, 78) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r| Show InChI InChI=1S/C27H23N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)25(31)29-22-12-6-10-18-11-7-17-28-23(18)22/h3-17,24H,1-2H3,(H,29,31)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PARP3 (unknown origin) using histone as substrate after 1 hr by luminescence assay				J Med Chem 56: 4320-42 (2013) Article DOI: 10.1021/jm4000038 BindingDB Entry DOI: 10.7270/Q2QF8V74
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1 Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanyang Technological University Curated by ChEMBL					Assay Description Inhibition of PARP3 (unknown origin)				J Med Chem 56: 4497-508 (2013) Article DOI: 10.1021/jm400211f BindingDB Entry DOI: 10.7270/Q23R0V82
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50444030 (CHEMBL3092520) Show SMILES C[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r| Show InChI InChI=1S/C14H17N3O3/c1-9(8-18)15-13(19)7-6-12-16-11-5-3-2-4-10(11)14(20)17-12/h2-5,9,18H,6-8H2,1H3,(H,15,19)(H,16,17,20)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of full length ATRD3 (unknown origin)				J Med Chem 56: 9556-68 (2014) Article DOI: 10.1021/jm401394u BindingDB Entry DOI: 10.7270/Q2Q52R32
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50104286 (CHEMBL3593715) Show SMILES O=c1[nH]c(nc2CCCCc12)N1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C18H23N5O/c24-17-15-3-1-2-4-16(15)20-18(21-17)23-11-9-22(10-12-23)13-14-5-7-19-8-6-14/h5-8H,1-4,9-13H2,(H,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu Curated by ChEMBL					Assay Description Inhibition of full-length human ARTD3 using 500 nM NAD substrate after 1 hrs incubation				Bioorg Med Chem 23: 4139-49 (2015) Article DOI: 10.1016/j.bmc.2015.06.063 BindingDB Entry DOI: 10.7270/Q2W66NJ2
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50444031 (CHEMBL3092518) Show SMILES CC(NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C22H21N5O2/c1-15(16-6-8-17(9-7-16)27-13-12-23-14-27)24-21(28)11-10-20-25-19-5-3-2-4-18(19)22(29)26-20/h2-9,12-15H,10-11H2,1H3,(H,24,28)(H,25,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of full length ATRD3 (unknown origin)				J Med Chem 56: 9556-68 (2014) Article DOI: 10.1021/jm401394u BindingDB Entry DOI: 10.7270/Q2Q52R32
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50444032 (CHEMBL3092517) Show SMILES CC(NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H20N4O4S/c1-12(13-6-8-14(9-7-13)28(20,26)27)21-18(24)11-10-17-22-16-5-3-2-4-15(16)19(25)23-17/h2-9,12H,10-11H2,1H3,(H,21,24)(H2,20,26,27)(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of full length ATRD3 (unknown origin)				J Med Chem 56: 9556-68 (2014) Article DOI: 10.1021/jm401394u BindingDB Entry DOI: 10.7270/Q2Q52R32
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM103557 (ME0327) Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of full length ATRD3 (unknown origin)				J Med Chem 56: 9556-68 (2014) Article DOI: 10.1021/jm401394u BindingDB Entry DOI: 10.7270/Q2Q52R32
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM103557 (ME0327) Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University					Assay Description Experiments todetermine IC50 values were conducted with compound concentrationsin the range between 10 nM and 450 μM with a DMSO concentrationof...				ACS Chem Biol 8: 1698-703 (2013) Article DOI: 10.1021/cb4002014 BindingDB Entry DOI: 10.7270/Q2668BS1
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50104288 (CHEMBL3594137) Show SMILES CC(C)(C)c1ccc(cc1)C1NC(=O)c2ccccc2N1 Show InChI InChI=1S/C18H20N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11,16,19H,1-3H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu Curated by ChEMBL					Assay Description Inhibition of full-length human ARTD3 using 500 nM NAD substrate after 1 hrs incubation				Bioorg Med Chem 23: 4139-49 (2015) Article DOI: 10.1016/j.bmc.2015.06.063 BindingDB Entry DOI: 10.7270/Q2W66NJ2
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50104287 (CHEMBL3594136) Show SMILES CC(C)c1ccc(cc1)C1NC(=O)c2ccccc2N1 Show InChI InChI=1S/C17H18N2O/c1-11(2)12-7-9-13(10-8-12)16-18-15-6-4-3-5-14(15)17(20)19-16/h3-11,16,18H,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu Curated by ChEMBL					Assay Description Inhibition of full-length human ARTD3 using 500 nM NAD substrate after 1 hrs incubation				Bioorg Med Chem 23: 4139-49 (2015) Article DOI: 10.1016/j.bmc.2015.06.063 BindingDB Entry DOI: 10.7270/Q2W66NJ2
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50104285 (CHEMBL3593716) Show SMILES CN1CCN(CC1)c1nc2CCCCc2c(=O)[nH]1 Show InChI InChI=1S/C13H20N4O/c1-16-6-8-17(9-7-16)13-14-11-5-3-2-4-10(11)12(18)15-13/h2-9H2,1H3,(H,14,15,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu Curated by ChEMBL					Assay Description Inhibition of full-length human ARTD3 using 500 nM NAD substrate after 1 hrs incubation				Bioorg Med Chem 23: 4139-49 (2015) Article DOI: 10.1016/j.bmc.2015.06.063 BindingDB Entry DOI: 10.7270/Q2W66NJ2
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50136755 (CHEMBL3752386) Show SMILES COc1ccc(cc1)C1(CNC(=O)c2ccc(NC(=O)c3ccco3)cc2Cl)CCOCC1 Show InChI InChI=1S/C25H25ClN2O5/c1-31-19-7-4-17(5-8-19)25(10-13-32-14-11-25)16-27-23(29)20-9-6-18(15-21(20)26)28-24(30)22-3-2-12-33-22/h2-9,12,15H,10-11,13-14,16H2,1H3,(H,27,29)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu Curated by ChEMBL					Assay Description Inhibition of human ARTD3 by fluorescence analysis				Bioorg Med Chem Lett 26: 328-33 (2016) Article DOI: 10.1016/j.bmcl.2015.12.018 BindingDB Entry DOI: 10.7270/Q20003ZD
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM103555 (ME0354) Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 |r| Show InChI InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University					Assay Description Experiments todetermine IC50 values were conducted with compound concentrationsin the range between 10 nM and 450 μM with a DMSO concentrationof...				ACS Chem Biol 8: 1698-703 (2013) Article DOI: 10.1021/cb4002014 BindingDB Entry DOI: 10.7270/Q2668BS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM103555 (ME0354) Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 |r| Show InChI InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of full length ATRD3 (unknown origin)				J Med Chem 56: 9556-68 (2014) Article DOI: 10.1021/jm401394u BindingDB Entry DOI: 10.7270/Q2Q52R32
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50444036 (CHEMBL3092540) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C20H19N3O2/c24-19(22-17-10-9-13-5-1-2-6-14(13)17)12-11-18-21-16-8-4-3-7-15(16)20(25)23-18/h1-8,17H,9-12H2,(H,22,24)(H,21,23,25)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of full length ATRD3 (unknown origin)				J Med Chem 56: 9556-68 (2014) Article DOI: 10.1021/jm401394u BindingDB Entry DOI: 10.7270/Q2Q52R32
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50136772 (CHEMBL3752492) Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu Curated by ChEMBL					Assay Description Inhibition of human ARTD3 by fluorescence analysis				Bioorg Med Chem Lett 26: 328-33 (2016) Article DOI: 10.1016/j.bmcl.2015.12.018 BindingDB Entry DOI: 10.7270/Q20003ZD
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM199181 (4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carbox...) Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1 Show InChI InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu					Assay Description This assay measures the substrate consumption by quantifying the remaining NAD+ through its chemical conversion to a stable fluorescent condensation ...				Cell Chem Biol 23: 1251-1260 (2016) Article DOI: 10.1016/j.chembiol.2016.08.012 BindingDB Entry DOI: 10.7270/Q2B56HJ3
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50444035 (CHEMBL3092541) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C20H19N3O2/c24-19(22-17-10-9-13-5-1-2-6-14(13)17)12-11-18-21-16-8-4-3-7-15(16)20(25)23-18/h1-8,17H,9-12H2,(H,22,24)(H,21,23,25)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of full length ATRD3 (unknown origin)				J Med Chem 56: 9556-68 (2014) Article DOI: 10.1021/jm401394u BindingDB Entry DOI: 10.7270/Q2Q52R32
					More data for this Ligand-Target Pair