Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'bisbocci' and Initial = 'm'   

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))	BDBM50306267 (1-(2-(4-phenylpiperidin-1-yl)acetyl)-2,3,9,9a-tetr...) Show SMILES O=C(CN1CCC(CC1)c1ccccc1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C24H27N3O2/c28-22(16-26-12-9-18(10-13-26)17-5-2-1-3-6-17)27-14-11-19-7-4-8-20-23(19)21(27)15-25-24(20)29/h1-8,18,21H,9-16H2,(H,25,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306257 (1-(3-(1H-benzo[d]imidazol-1-yl)propanoyl)-2,3,9,9a...) Show SMILES O=C(CCn1cnc2ccccc12)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C21H20N4O2/c26-19(9-10-24-13-23-16-6-1-2-7-17(16)24)25-11-8-14-4-3-5-15-20(14)18(25)12-22-21(15)27/h1-7,13,18H,8-12H2,(H,22,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306263 (1-(azetidine-3-carbonyl)-2,3,9,9a-tetrahydro-1H-be...) Show SMILES O=C(C1CNC1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C15H17N3O2/c19-14-11-3-1-2-9-4-5-18(12(8-17-14)13(9)11)15(20)10-6-16-7-10/h1-3,10,12,16H,4-8H2,(H,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Poly [ADP-ribose] polymerase 2 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP2				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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306262 (1-(pyrrolidine-3-carbonyl)-2,3,9,9a-tetrahydro-1H-...) Show SMILES O=C(C1CCNC1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C16H19N3O2/c20-15-12-3-1-2-10-5-7-19(13(9-18-15)14(10)12)16(21)11-4-6-17-8-11/h1-3,11,13,17H,4-9H2,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Poly [ADP-ribose] polymerase 2 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP2				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
Poly [ADP-ribose] polymerase 1 (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 UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50615001 (CHEMBL5267582) Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nc(C)sc2c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50614997 (CHEMBL5281311) Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50406432 (CHEMBL5288562) Show SMILES CC(C)(O)CCS(=O)(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H17NO5S2/c1-11(2,13)7-8-18(14,15)9-3-5-10(6-4-9)19(12,16)17/h3-6,13H,7-8H2,1-2H3,(H2,12,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of human dihydrofolate reductase				Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50615002 (CHEMBL5282278) Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccn2nccc2c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306273 (1-(3-phenylpropanoyl)-2,3,9,9a-tetrahydro-1H-benzo...) Show SMILES O=C(CCc1ccccc1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C20H20N2O2/c23-18(10-9-14-5-2-1-3-6-14)22-12-11-15-7-4-8-16-19(15)17(22)13-21-20(16)24/h1-8,17H,9-13H2,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50406430 (CHEMBL5274747) Show SMILES NS(=O)(=O)c1ccc(SCCCO)s1 Show InChI InChI=1S/C7H11NO3S3/c8-14(10,11)7-3-2-6(13-7)12-5-1-4-9/h2-3,9H,1,4-5H2,(H2,8,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of dihydrofolate reductase in Candida albicans (in vitro).				Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50615015 (CHEMBL5289856) Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nccs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50615013 (CHEMBL5268577) Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1cnsn1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50615009 (CHEMBL5271919) Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1cccc(C)n1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50615005 (CHEMBL5291336) Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccn2nccc2c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50546219 (CHEMBL4752026 | US11596633, Compound B | US1170239...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(nc2CO)-c2cccc(Cl)c2Cl)[C@@H]1N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306260 (1-((S)-pyrrolidine-2-carbonyl)-2,3,9,9a-tetrahydro...) Show SMILES O=C([C@@H]1CCCN1)N1CCc2cccc3C(=O)NCC1c23 |r| Show InChI InChI=1S/C16H19N3O2/c20-15-11-4-1-3-10-6-8-19(13(9-18-15)14(10)11)16(21)12-5-2-7-17-12/h1,3-4,12-13,17H,2,5-9H2,(H,18,20)/t12-,13?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306271 (1-benzoyl-2,3,9,9a-tetrahydro-1H-benzo[de][1,7]nap...) Show SMILES O=C(N1CCc2cccc3C(=O)NCC1c23)c1ccccc1 Show InChI InChI=1S/C18H16N2O2/c21-17-14-8-4-7-12-9-10-20(15(11-19-17)16(12)14)18(22)13-5-2-1-3-6-13/h1-8,15H,9-11H2,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306242 (1-(2-(4-chlorophenyl)acetyl)-2,3,9,9a-tetrahydro-1...) Show SMILES Clc1ccc(CC(=O)N2CCc3cccc4C(=O)NCC2c34)cc1 Show InChI InChI=1S/C19H17ClN2O2/c20-14-6-4-12(5-7-14)10-17(23)22-9-8-13-2-1-3-15-18(13)16(22)11-21-19(15)24/h1-7,16H,8-11H2,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306246 (1-(2-(3-methoxyphenyl)acetyl)-2,3,9,9a-tetrahydro-...) Show SMILES COc1cccc(CC(=O)N2CCc3cccc4C(=O)NCC2c34)c1 Show InChI InChI=1S/C20H20N2O3/c1-25-15-6-2-4-13(10-15)11-18(23)22-9-8-14-5-3-7-16-19(14)17(22)12-21-20(16)24/h2-7,10,17H,8-9,11-12H2,1H3,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306243 (1-(2-(3-chlorophenyl)acetyl)-2,3,9,9a-tetrahydro-1...) Show SMILES Clc1cccc(CC(=O)N2CCc3cccc4C(=O)NCC2c34)c1 Show InChI InChI=1S/C19H17ClN2O2/c20-14-5-1-3-12(9-14)10-17(23)22-8-7-13-4-2-6-15-18(13)16(22)11-21-19(15)24/h1-6,9,16H,7-8,10-11H2,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50615008 (CHEMBL5273026) Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1ccccn1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50615006 (CHEMBL5290261) Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50614995 (CHEMBL5270277) Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccn1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50615004 (CHEMBL5275370) Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nc(C)sc2c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50615016 (CHEMBL5272403) Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(Cl)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50406429 (CHEMBL5276842) Show SMILES CC(=O)OCCS(=O)(=O)c1ccc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H11NO6S3/c1-6(10)15-4-5-17(11,12)7-2-3-8(16-7)18(9,13)14/h2-3H,4-5H2,1H3,(H2,9,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of human dihydrofolate reductase				Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50615014 (CHEMBL5270851) Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1csc(C)n1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306264 (1-(2-(piperidin-1-yl)acetyl)-2,3,9,9a-tetrahydro-1...) Show SMILES O=C(CN1CCCCC1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C18H23N3O2/c22-16(12-20-8-2-1-3-9-20)21-10-7-13-5-4-6-14-17(13)15(21)11-19-18(14)23/h4-6,15H,1-3,7-12H2,(H,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306245 (1-(2-(4-methoxyphenyl)acetyl)-2,3,9,9a-tetrahydro-...) Show SMILES COc1ccc(CC(=O)N2CCc3cccc4C(=O)NCC2c34)cc1 Show InChI InChI=1S/C20H20N2O3/c1-25-15-7-5-13(6-8-15)11-18(23)22-10-9-14-3-2-4-16-19(14)17(22)12-21-20(16)24/h2-8,17H,9-12H2,1H3,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50615003 (CHEMBL5278658) Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306254 (1-(2-(4-methylthiazol-2-yl)acetyl)-2,3,9,9a-tetrah...) Show SMILES Cc1csc(CC(=O)N2CCc3cccc4C(=O)NCC2c34)n1 Show InChI InChI=1S/C17H17N3O2S/c1-10-9-23-14(19-10)7-15(21)20-6-5-11-3-2-4-12-16(11)13(20)8-18-17(12)22/h2-4,9,13H,5-8H2,1H3,(H,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50406431 (CHEMBL5278011) Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)CCO Show InChI InChI=1S/C8H10FNO5S2/c9-7-5-6(17(10,14)15)1-2-8(7)16(12,13)4-3-11/h1-2,5,11H,3-4H2,(H2,10,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of dihydrofolate reductase in Candida albicans (in vitro).				Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50614996 (CHEMBL5290513) Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (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 UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306248 (1-(2-(4-bromophenyl)acetyl)-2,3,9,9a-tetrahydro-1H...) Show SMILES Brc1ccc(CC(=O)N2CCc3cccc4C(=O)NCC2c34)cc1 Show InChI InChI=1S/C19H17BrN2O2/c20-14-6-4-12(5-7-14)10-17(23)22-9-8-13-2-1-3-15-18(13)16(22)11-21-19(15)24/h1-7,16H,8-11H2,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50615011 (CHEMBL5278669) Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1ccn(C)n1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306279 (1-(4-chlorobenzoyl)-2,3,9,9a-tetrahydro-1H-benzo[d...) Show SMILES Clc1ccc(cc1)C(=O)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C18H15ClN2O2/c19-13-6-4-12(5-7-13)18(23)21-9-8-11-2-1-3-14-16(11)15(21)10-20-17(14)22/h1-7,15H,8-10H2,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306272 (1-(2-phenylacetyl)-2,3,9,9a-tetrahydro-1H-benzo[de...) Show SMILES O=C(Cc1ccccc1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C19H18N2O2/c22-17(11-13-5-2-1-3-6-13)21-10-9-14-7-4-8-15-18(14)16(21)12-20-19(15)23/h1-8,16H,9-12H2,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50614994 (CHEMBL5275479) Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccsc1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50615007 (CHEMBL5283063) Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1ccccc1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306276 (CHEMBL595693 | phenyl 7-oxo-2,3,7,8,9,9a-hexahydro...) Show SMILES O=C(Oc1ccccc1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C18H16N2O3/c21-17-14-8-4-5-12-9-10-20(15(11-19-17)16(12)14)18(22)23-13-6-2-1-3-7-13/h1-8,15H,9-11H2,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306250 (4-(2-oxo-2-(7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[...) Show SMILES O=C(Cc1ccc(cc1)C#N)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C20H17N3O2/c21-11-14-6-4-13(5-7-14)10-18(24)23-9-8-15-2-1-3-16-19(15)17(23)12-22-20(16)25/h1-7,17H,8-10,12H2,(H,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306268 (CHEMBL595680 | N,N-dimethyl-4-oxo-4-(7-oxo-2,3,7,8...) Show SMILES CN(C)C(=O)CCC(=O)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C17H21N3O3/c1-19(2)14(21)6-7-15(22)20-9-8-11-4-3-5-12-16(11)13(20)10-18-17(12)23/h3-5,13H,6-10H2,1-2H3,(H,18,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50614988 (CHEMBL5269824) Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50614992 (CHEMBL5290180) Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccc1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50615012 (CHEMBL5275866) Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nnc(C)s1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306252 (1-(2-(pyridin-4-yl)acetyl)-2,3,9,9a-tetrahydro-1H-...) Show SMILES O=C(Cc1ccncc1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C18H17N3O2/c22-16(10-12-4-7-19-8-5-12)21-9-6-13-2-1-3-14-17(13)15(21)11-20-18(14)23/h1-5,7-8,15H,6,9-11H2,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				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

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