Compile Data Set for Download or QSAR

Found 211 hits with Last Name = 'pascal' and Initial = 'jm'   

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 2 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 2 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 2 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PARP2 (unknown origin)				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501829 (CHEMBL4529965) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)NCCc1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C27H21N5O5/c28-25(34)16-3-2-6-19-22(16)32-21(31-19)11-12-30-27(36)15-9-7-14(8-10-15)13-20-23(33)17-4-1-5-18(26(29)35)24(17)37-20/h1-10,13H,11-12H2,(H2,28,34)(H2,29,35)(H,30,36)(H,31,32)/b20-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.646	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501829 (CHEMBL4529965) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)NCCc1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C27H21N5O5/c28-25(34)16-3-2-6-19-22(16)32-21(31-19)11-12-30-27(36)15-9-7-14(8-10-15)13-20-23(33)17-4-1-5-18(26(29)35)24(17)37-20/h1-10,13H,11-12H2,(H2,28,34)(H2,29,35)(H,30,36)(H,31,32)/b20-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin)				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human full-length N-terminal GST-tagged PARP1 expressed in baculovirus infected Sf9 insect cells using histone as substrate measured af...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human full-length N-terminal GST-tagged PARP1 expressed in baculovirus infected Sf9 insect cells using histone as substrate measured af...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human full-length N-terminal GST-tagged PARP1 expressed in baculovirus infected Sf9 insect cells using histone as substrate measured af...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human full-length N-terminal GST-tagged PARP1 expressed in baculovirus infected Sf9 insect cells using histone as substrate measured af...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501836 (CHEMBL4518901) Show SMILES COc1cc(ccc1\C=C1/Oc2c(cccc2C(N)=O)C1=O)-c1nn[nH]n1 Show InChI InChI=1S/C18H13N5O4/c1-26-13-8-10(18-20-22-23-21-18)6-5-9(13)7-14-15(24)11-3-2-4-12(17(19)25)16(11)27-14/h2-8H,1H3,(H2,19,25)(H,20,21,22,23)/b14-7-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501836 (CHEMBL4518901) Show SMILES COc1cc(ccc1\C=C1/Oc2c(cccc2C(N)=O)C1=O)-c1nn[nH]n1 Show InChI InChI=1S/C18H13N5O4/c1-26-13-8-10(18-20-22-23-21-18)6-5-9(13)7-14-15(24)11-3-2-4-12(17(19)25)16(11)27-14/h2-8H,1H3,(H2,19,25)(H,20,21,22,23)/b14-7-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501827 (CHEMBL4575227) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCn2c(C1)nnc2C1CC1 Show InChI InChI=1S/C25H21N5O4/c26-23(32)18-3-1-2-17-21(31)19(34-22(17)18)12-14-4-6-16(7-5-14)25(33)29-10-11-30-20(13-29)27-28-24(30)15-8-9-15/h1-7,12,15H,8-11,13H2,(H2,26,32)/b19-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501827 (CHEMBL4575227) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCn2c(C1)nnc2C1CC1 Show InChI InChI=1S/C25H21N5O4/c26-23(32)18-3-1-2-17-21(31)19(34-22(17)18)12-14-4-6-16(7-5-14)25(33)29-10-11-30-20(13-29)27-28-24(30)15-8-9-15/h1-7,12,15H,8-11,13H2,(H2,26,32)/b19-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501830 (CHEMBL4519178) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCn2c(C1)nnc2C(F)(F)F Show InChI InChI=1S/C23H16F3N5O4/c24-23(25,26)22-29-28-17-11-30(8-9-31(17)22)21(34)13-6-4-12(5-7-13)10-16-18(32)14-2-1-3-15(20(27)33)19(14)35-16/h1-7,10H,8-9,11H2,(H2,27,33)/b16-10-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501830 (CHEMBL4519178) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCn2c(C1)nnc2C(F)(F)F Show InChI InChI=1S/C23H16F3N5O4/c24-23(25,26)22-29-28-17-11-30(8-9-31(17)22)21(34)13-6-4-12(5-7-13)10-16-18(32)14-2-1-3-15(20(27)33)19(14)35-16/h1-7,10H,8-9,11H2,(H2,27,33)/b16-10-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501835 (CHEMBL4454914) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)-c1nn[nH]n1 Show InChI InChI=1S/C17H11N5O3/c18-16(24)12-3-1-2-11-14(23)13(25-15(11)12)8-9-4-6-10(7-5-9)17-19-21-22-20-17/h1-8H,(H2,18,24)(H,19,20,21,22)/b13-8-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501835 (CHEMBL4454914) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)-c1nn[nH]n1 Show InChI InChI=1S/C17H11N5O3/c18-16(24)12-3-1-2-11-14(23)13(25-15(11)12)8-9-4-6-10(7-5-9)17-19-21-22-20-17/h1-8H,(H2,18,24)(H,19,20,21,22)/b13-8-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 | CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged TNKS2 (667 to 1166 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate ...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 2 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human PARP2 expressed in Escherichia coli using biotinylated histone H1 as substrate measured in presence of [3H]NAD+ by topcount scint...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501847 (CHEMBL4446105) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCn2c(C1)nnc2C(F)F Show InChI InChI=1S/C23H17F2N5O4/c24-20(25)22-28-27-17-11-29(8-9-30(17)22)23(33)13-6-4-12(5-7-13)10-16-18(31)14-2-1-3-15(21(26)32)19(14)34-16/h1-7,10,20H,8-9,11H2,(H2,26,32)/b16-10-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501847 (CHEMBL4446105) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCn2c(C1)nnc2C(F)F Show InChI InChI=1S/C23H17F2N5O4/c24-20(25)22-28-27-17-11-29(8-9-30(17)22)23(33)13-6-4-12(5-7-13)10-16-18(31)14-2-1-3-15(21(26)32)19(14)34-16/h1-7,10,20H,8-9,11H2,(H2,26,32)/b16-10-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501828 (CHEMBL4586938) Show SMILES Cn1cnc(c1)-c1nnc2CN(CCn12)C(=O)c1ccc(\C=C2/Oc3c(cccc3C(N)=O)C2=O)cc1 Show InChI InChI=1S/C26H21N7O4/c1-31-12-19(28-14-31)25-30-29-21-13-32(9-10-33(21)25)26(36)16-7-5-15(6-8-16)11-20-22(34)17-3-2-4-18(24(27)35)23(17)37-20/h2-8,11-12,14H,9-10,13H2,1H3,(H2,27,35)/b20-11-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501828 (CHEMBL4586938) Show SMILES Cn1cnc(c1)-c1nnc2CN(CCn12)C(=O)c1ccc(\C=C2/Oc3c(cccc3C(N)=O)C2=O)cc1 Show InChI InChI=1S/C26H21N7O4/c1-31-12-19(28-14-31)25-30-29-21-13-32(9-10-33(21)25)26(36)16-7-5-15(6-8-16)11-20-22(34)17-3-2-4-18(24(27)35)23(17)37-20/h2-8,11-12,14H,9-10,13H2,1H3,(H2,27,35)/b20-11-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501831 (CHEMBL4450747) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCn2c(CC3CC3)nnc2C1 Show InChI InChI=1S/C26H23N5O4/c27-25(33)19-3-1-2-18-23(32)20(35-24(18)19)12-15-6-8-17(9-7-15)26(34)30-10-11-31-21(13-16-4-5-16)28-29-22(31)14-30/h1-3,6-9,12,16H,4-5,10-11,13-14H2,(H2,27,33)/b20-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501831 (CHEMBL4450747) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCn2c(CC3CC3)nnc2C1 Show InChI InChI=1S/C26H23N5O4/c27-25(33)19-3-1-2-18-23(32)20(35-24(18)19)12-15-6-8-17(9-7-15)26(34)30-10-11-31-21(13-16-4-5-16)28-29-22(31)14-30/h1-3,6-9,12,16H,4-5,10-11,13-14H2,(H2,27,33)/b20-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501846 (CHEMBL4539194) Show SMILES CCOC(=O)c1nnc2CN(CCn12)C(=O)c1ccc(\C=C2/Oc3c(cccc3C(N)=O)C2=O)cc1 Show InChI InChI=1S/C25H21N5O6/c1-2-35-25(34)23-28-27-19-13-29(10-11-30(19)23)24(33)15-8-6-14(7-9-15)12-18-20(31)16-4-3-5-17(22(26)32)21(16)36-18/h3-9,12H,2,10-11,13H2,1H3,(H2,26,32)/b18-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501846 (CHEMBL4539194) Show SMILES CCOC(=O)c1nnc2CN(CCn12)C(=O)c1ccc(\C=C2/Oc3c(cccc3C(N)=O)C2=O)cc1 Show InChI InChI=1S/C25H21N5O6/c1-2-35-25(34)23-28-27-19-13-29(10-11-30(19)23)24(33)15-8-6-14(7-9-15)12-18-20(31)16-4-3-5-17(22(26)32)21(16)36-18/h3-9,12H,2,10-11,13H2,1H3,(H2,26,32)/b18-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501849 (CHEMBL4469675) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCn2c(C1)nnc2C1CCCC1 Show InChI InChI=1S/C27H25N5O4/c28-25(34)20-7-3-6-19-23(33)21(36-24(19)20)14-16-8-10-18(11-9-16)27(35)31-12-13-32-22(15-31)29-30-26(32)17-4-1-2-5-17/h3,6-11,14,17H,1-2,4-5,12-13,15H2,(H2,28,34)/b21-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501849 (CHEMBL4469675) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCn2c(C1)nnc2C1CCCC1 Show InChI InChI=1S/C27H25N5O4/c28-25(34)20-7-3-6-19-23(33)21(36-24(19)20)14-16-8-10-18(11-9-16)27(35)31-12-13-32-22(15-31)29-30-26(32)17-4-1-2-5-17/h3,6-11,14,17H,1-2,4-5,12-13,15H2,(H2,28,34)/b21-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50501829 (CHEMBL4529965) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)NCCc1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C27H21N5O5/c28-25(34)16-3-2-6-19-22(16)32-21(31-19)11-12-30-27(36)15-9-7-14(8-10-15)13-20-23(33)17-4-1-5-18(26(29)35)24(17)37-20/h1-10,13H,11-12H2,(H2,28,34)(H2,29,35)(H,30,36)(H,31,32)/b20-13-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human full-length N-terminal GST-tagged PARP1 expressed in baculovirus infected Sf9 insect cells using histone as substrate measured af...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50501829 (CHEMBL4529965) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)NCCc1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C27H21N5O5/c28-25(34)16-3-2-6-19-22(16)32-21(31-19)11-12-30-27(36)15-9-7-14(8-10-15)13-20-23(33)17-4-1-5-18(26(29)35)24(17)37-20/h1-10,13H,11-12H2,(H2,28,34)(H2,29,35)(H,30,36)(H,31,32)/b20-13-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human full-length N-terminal GST-tagged PARP1 expressed in baculovirus infected Sf9 insect cells using histone as substrate measured af...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501855 (CHEMBL4474593) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C28H23N5O4/c29-26(35)20-5-3-4-19-24(34)23(37-25(19)20)16-17-8-10-18(11-9-17)27(36)32-12-14-33(15-13-32)28-30-21-6-1-2-7-22(21)31-28/h1-11,16H,12-15H2,(H2,29,35)(H,30,31)/b23-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501855 (CHEMBL4474593) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C28H23N5O4/c29-26(35)20-5-3-4-19-24(34)23(37-25(19)20)16-17-8-10-18(11-9-17)27(36)32-12-14-33(15-13-32)28-30-21-6-1-2-7-22(21)31-28/h1-11,16H,12-15H2,(H2,29,35)(H,30,31)/b23-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 | CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged TNKS1 (1001 to 1327 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501848 (CHEMBL4435102) Show SMILES CC(C)c1nnc2CN(CCn12)C(=O)c1ccc(\C=C2/Oc3c(cccc3C(N)=O)C2=O)cc1 Show InChI InChI=1S/C25H23N5O4/c1-14(2)24-28-27-20-13-29(10-11-30(20)24)25(33)16-8-6-15(7-9-16)12-19-21(31)17-4-3-5-18(23(26)32)22(17)34-19/h3-9,12,14H,10-11,13H2,1-2H3,(H2,26,32)/b19-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501848 (CHEMBL4435102) Show SMILES CC(C)c1nnc2CN(CCn12)C(=O)c1ccc(\C=C2/Oc3c(cccc3C(N)=O)C2=O)cc1 Show InChI InChI=1S/C25H23N5O4/c1-14(2)24-28-27-20-13-29(10-11-30(20)24)25(33)16-8-6-15(7-9-16)12-19-21(31)17-4-3-5-18(23(26)32)22(17)34-19/h3-9,12,14H,10-11,13H2,1-2H3,(H2,26,32)/b19-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501832 (CHEMBL4446923) Show SMILES Cc1ccc2[nH]c(CCNC(=O)c3ccc(\C=C4/Oc5c(cccc5C(N)=O)C4=O)cc3)nc2c1 Show InChI InChI=1S/C27H22N4O4/c1-15-5-10-20-21(13-15)31-23(30-20)11-12-29-27(34)17-8-6-16(7-9-17)14-22-24(32)18-3-2-4-19(26(28)33)25(18)35-22/h2-10,13-14H,11-12H2,1H3,(H2,28,33)(H,29,34)(H,30,31)/b22-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
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	5	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human PARP1 expressed in Escherichia coli using biotinylated histone H1 as substrate measured in presence of [3H]NAD+ by topcount scint...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501832 (CHEMBL4446923) Show SMILES Cc1ccc2[nH]c(CCNC(=O)c3ccc(\C=C4/Oc5c(cccc5C(N)=O)C4=O)cc3)nc2c1 Show InChI InChI=1S/C27H22N4O4/c1-15-5-10-20-21(13-15)31-23(30-20)11-12-29-27(34)17-8-6-16(7-9-17)14-22-24(32)18-3-2-4-19(26(28)33)25(18)35-22/h2-10,13-14H,11-12H2,1H3,(H2,28,33)(H,29,34)(H,30,31)/b22-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
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	6	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) using biotinylated NAD+ as substrate after 60 mins by spectrophotometry				J Med Chem 57: 5579-601 (2014) Article DOI: 10.1021/jm5002502 BindingDB Entry DOI: 10.7270/Q28C9XSS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50501829 (CHEMBL4529965) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)NCCc1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C27H21N5O5/c28-25(34)16-3-2-6-19-22(16)32-21(31-19)11-12-30-27(36)15-9-7-14(8-10-15)13-20-23(33)17-4-1-5-18(26(29)35)24(17)37-20/h1-10,13H,11-12H2,(H2,28,34)(H2,29,35)(H,30,36)(H,31,32)/b20-13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged TNKS1 (1001 to 1327 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					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	7	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) using biotinylated NAD+ as substrate after 60 mins by spectrophotometry				J Med Chem 57: 5579-601 (2014) Article DOI: 10.1021/jm5002502 BindingDB Entry DOI: 10.7270/Q28C9XSS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50501829 (CHEMBL4529965) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)NCCc1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C27H21N5O5/c28-25(34)16-3-2-6-19-22(16)32-21(31-19)11-12-30-27(36)15-9-7-14(8-10-15)13-20-23(33)17-4-1-5-18(26(29)35)24(17)37-20/h1-10,13H,11-12H2,(H2,28,34)(H2,29,35)(H,30,36)(H,31,32)/b20-13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged TNKS2 (667 to 1166 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate ...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501850 (CHEMBL4470680) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1cccc(c1)C(=O)N1CCn2c(C1)nnc2C(F)(F)F Show InChI InChI=1S/C23H16F3N5O4/c24-23(25,26)22-29-28-17-11-30(7-8-31(17)22)21(34)13-4-1-3-12(9-13)10-16-18(32)14-5-2-6-15(20(27)33)19(14)35-16/h1-6,9-10H,7-8,11H2,(H2,27,33)/b16-10-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501851 (CHEMBL4450242) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)NCCc1nc2cc(F)ccc2[nH]1 Show InChI InChI=1S/C26H19FN4O4/c27-16-8-9-19-20(13-16)31-22(30-19)10-11-29-26(34)15-6-4-14(5-7-15)12-21-23(32)17-2-1-3-18(25(28)33)24(17)35-21/h1-9,12-13H,10-11H2,(H2,28,33)(H,29,34)(H,30,31)/b21-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501852 (CHEMBL4471547) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1cccc(c1)C(=O)NCCc1nc2cc(F)ccc2[nH]1 Show InChI InChI=1S/C26H19FN4O4/c27-16-7-8-19-20(13-16)31-22(30-19)9-10-29-26(34)15-4-1-3-14(11-15)12-21-23(32)17-5-2-6-18(25(28)33)24(17)35-21/h1-8,11-13H,9-10H2,(H2,28,33)(H,29,34)(H,30,31)/b21-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501825 (CHEMBL4576573) Show SMILES COc1ccc2[nH]c(CCNC(=O)c3ccc(\C=C4/Oc5c(cccc5C(N)=O)C4=O)cc3)nc2c1 Show InChI InChI=1S/C27H22N4O5/c1-35-17-9-10-20-21(14-17)31-23(30-20)11-12-29-27(34)16-7-5-15(6-8-16)13-22-24(32)18-3-2-4-19(26(28)33)25(18)36-22/h2-10,13-14H,11-12H2,1H3,(H2,28,33)(H,29,34)(H,30,31)/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501853 (CHEMBL4475399) Show SMILES CC(C)(Cc1nc2ccccc2[nH]1)NC(=O)c1ccc(\C=C2/Oc3c(cccc3C(N)=O)C2=O)cc1 Show InChI InChI=1S/C28H24N4O4/c1-28(2,15-23-30-20-8-3-4-9-21(20)31-23)32-27(35)17-12-10-16(11-13-17)14-22-24(33)18-6-5-7-19(26(29)34)25(18)36-22/h3-14H,15H2,1-2H3,(H2,29,34)(H,30,31)(H,32,35)/b22-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50501854 (CHEMBL4437358) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CC(C1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C27H20N4O4/c28-25(33)19-5-3-4-18-23(32)22(35-24(18)19)12-15-8-10-16(11-9-15)27(34)31-13-17(14-31)26-29-20-6-1-2-7-21(20)30-26/h1-12,17H,13-14H2,(H2,28,33)(H,29,30)/b22-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...				J Med Chem 62: 5330-5357 (2019) Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF
					More data for this Ligand-Target Pair

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