Compile Data Set for Download or QSAR

Found 698 hits with Last Name = 'papeo' and Initial = 'g'   

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))	BDBM240715 (US9422243, 13) Show SMILES Cc1cc(ccc1Cl)-c1[nH]c(=O)c2cc(F)ccc2c1OCCN Show InChI InChI=1S/C18H16ClFN2O2/c1-10-8-11(2-5-15(10)19)16-17(24-7-6-21)13-4-3-12(20)9-14(13)18(23)22-16/h2-5,8-9H,6-7,21H2,1H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description Studies were performed as follows: 6000 cells/well were seeded in 96 well plates (Perkin Elmer) in MEM/10% FCS and incubated for 24 hs at 37° C.,...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50162074 (CHEMBL3792684) Show SMILES CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccccc1 Show InChI InChI=1S/C19H19N3O3/c1-20-19(23)14-11-21-15-10-17(25-3)16(24-2)9-13(15)18(14)22-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,23)(H,21,22)	PDB UniProtKB/SwissProt 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
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of MTH1 (unknown origin) using 8-oxo-dGTP as substrate				J Med Chem 59: 2343-5 (2016) Article DOI: 10.1021/acs.jmedchem.6b00283 BindingDB Entry DOI: 10.7270/Q2VX0JDP
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50162075 (CHEMBL3794167) Show SMILES CNc1nc2OCCOCCOc3cccc(Cn4c(n2)c1[nH]c4=O)c3 Show InChI InChI=1S/C17H19N5O4/c1-18-14-13-15-21-16(20-14)26-8-6-24-5-7-25-12-4-2-3-11(9-12)10-22(15)17(23)19-13/h2-4,9H,5-8,10H2,1H3,(H,19,23)(H,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of MTH1 (unknown origin) using 8-oxo-dGTP as substrate				J Med Chem 59: 2343-5 (2016) Article DOI: 10.1021/acs.jmedchem.6b00283 BindingDB Entry DOI: 10.7270/Q2VX0JDP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152125 (CHEMBL3781316) Show SMILES CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of MTH1 (unknown origin) using 8-oxo-dGTP as substrate				J Med Chem 59: 2343-5 (2016) Article DOI: 10.1021/acs.jmedchem.6b00283 BindingDB Entry DOI: 10.7270/Q2VX0JDP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240716 (US9422243, 14) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H13Cl2FN2O2/c18-13-4-1-9(7-14(13)19)15-16(24-6-5-21)11-3-2-10(20)8-12(11)17(23)22-15/h1-4,7-8H,5-6,21H2,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description Studies were performed as follows: 6000 cells/well were seeded in 96 well plates (Perkin Elmer) in MEM/10% FCS and incubated for 24 hs at 37° C.,...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50021624 (CHEMBL3297766 | US9145418, 23) Show SMILES CN(C)C1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r| Show InChI InChI=1S/C30H42ClN5O2/c1-34(2)25-11-13-35(14-12-25)20-27(21-7-4-3-5-8-21)33-29(37)17-26-18-32-30(38)28-16-23(19-36(26)28)22-9-6-10-24(31)15-22/h6,9-10,15-16,19,21,25-27H,3-5,7-8,11-14,17-18,20H2,1-2H3,(H,32,38)(H,33,37)/t26-,27+/m0/s1	PDB MMDB 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
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...				Bioorg Med Chem 21: 7364-80 (2013) Article DOI: 10.1016/j.bmc.2013.09.054 BindingDB Entry DOI: 10.7270/Q23F4R7S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50021620 (CHEMBL3297764 | US9145418, 26) Show SMILES CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cc(Cl)ccc2F)C2CCCCC2)CC1 |r| Show InChI InChI=1S/C28H37ClFN5O2/c1-33-9-11-34(12-10-33)18-25(19-5-3-2-4-6-19)32-27(36)15-22-16-31-28(37)26-13-20(17-35(22)26)23-14-21(29)7-8-24(23)30/h7-8,13-14,17,19,22,25H,2-6,9-12,15-16,18H2,1H3,(H,31,37)(H,32,36)/t22-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...				Bioorg Med Chem 21: 7364-80 (2013) Article DOI: 10.1016/j.bmc.2013.09.054 BindingDB Entry DOI: 10.7270/Q23F4R7S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50021622 (CHEMBL3297767) Show SMILES CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C(C)(C)C)CC1 |r| Show InChI InChI=1S/C26H36ClN5O2/c1-26(2,3)23(17-31-10-8-30(4)9-11-31)29-24(33)14-21-15-28-25(34)22-13-19(16-32(21)22)18-6-5-7-20(27)12-18/h5-7,12-13,16,21,23H,8-11,14-15,17H2,1-4H3,(H,28,34)(H,29,33)/t21-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...				Bioorg Med Chem 21: 7364-80 (2013) Article DOI: 10.1016/j.bmc.2013.09.054 BindingDB Entry DOI: 10.7270/Q23F4R7S
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240721 (US9422243, 21) Show SMILES COc1ccc(cc1F)-c1[nH]c(=O)c2cc(F)ccc2c1OCCN Show InChI InChI=1S/C18H16F2N2O3/c1-24-15-5-2-10(8-14(15)20)16-17(25-7-6-21)12-4-3-11(19)9-13(12)18(23)22-16/h2-5,8-9H,6-7,21H2,1H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description Studies were performed as follows: 6000 cells/well were seeded in 96 well plates (Perkin Elmer) in MEM/10% FCS and incubated for 24 hs at 37° C.,...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152124 (CHEMBL3782004) Show SMILES Nc1nc(NC2CC2)cc(n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of MTH1 (unknown origin) using 8-oxo-dGTP as substrate				J Med Chem 59: 2343-5 (2016) Article DOI: 10.1021/acs.jmedchem.6b00283 BindingDB Entry DOI: 10.7270/Q2VX0JDP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50162072 (CHEMBL3794132) Show SMILES CN(C)C(=O)Cc1ccc(cc1)-c1nc(N)nc2ccccc12 Show InChI InChI=1S/C18H18N4O/c1-22(2)16(23)11-12-7-9-13(10-8-12)17-14-5-3-4-6-15(14)20-18(19)21-17/h3-10H,11H2,1-2H3,(H2,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of MTH1 (unknown origin) using 8-oxo-dGTP as substrate				J Med Chem 59: 2343-5 (2016) Article DOI: 10.1021/acs.jmedchem.6b00283 BindingDB Entry DOI: 10.7270/Q2VX0JDP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50021617 (CHEMBL3297761) Show SMILES CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(F)c2)C2CCCCC2)CC1 |r| Show InChI InChI=1S/C28H38FN5O2/c1-32-10-12-33(13-11-32)19-25(20-6-3-2-4-7-20)31-27(35)16-24-17-30-28(36)26-15-22(18-34(24)26)21-8-5-9-23(29)14-21/h5,8-9,14-15,18,20,24-25H,2-4,6-7,10-13,16-17,19H2,1H3,(H,30,36)(H,31,35)/t24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...				Bioorg Med Chem 21: 7364-80 (2013) Article DOI: 10.1016/j.bmc.2013.09.054 BindingDB Entry DOI: 10.7270/Q23F4R7S
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240704 (US9422243, 1) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(Br)cc1 Show InChI InChI=1S/C17H14BrFN2O2/c18-11-3-1-10(2-4-11)15-16(23-8-7-20)13-6-5-12(19)9-14(13)17(22)21-15/h1-6,9H,7-8,20H2,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description Studies were performed as follows: 6000 cells/well were seeded in 96 well plates (Perkin Elmer) in MEM/10% FCS and incubated for 24 hs at 37° C.,...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138348 (US8877944, 99) Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12 Show InChI InChI=1S/C20H24F3N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240713 (US9422243, 11) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1cccc(c1)C#N Show InChI InChI=1S/C18H14FN3O2/c19-13-4-5-14-15(9-13)18(23)22-16(17(14)24-7-6-20)12-3-1-2-11(8-12)10-21/h1-5,8-9H,6-7,20H2,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description Studies were performed as follows: 6000 cells/well were seeded in 96 well plates (Perkin Elmer) in MEM/10% FCS and incubated for 24 hs at 37° C.,...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240711 (US9422243, 8) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H14ClFN2O2/c18-11-3-1-10(2-4-11)15-16(23-8-7-20)13-6-5-12(19)9-14(13)17(22)21-15/h1-6,9H,7-8,20H2,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description Studies were performed as follows: 6000 cells/well were seeded in 96 well plates (Perkin Elmer) in MEM/10% FCS and incubated for 24 hs at 37° C.,...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50021649 (CHEMBL3298891) Show SMILES NC[C@@H](NC(=O)C[C@H]1CNC(=O)c2cc(cn12)-c1cccc(F)c1)c1ccccc1 |r| Show InChI InChI=1S/C23H23FN4O2/c24-18-8-4-7-16(9-18)17-10-21-23(30)26-13-19(28(21)14-17)11-22(29)27-20(12-25)15-5-2-1-3-6-15/h1-10,14,19-20H,11-13,25H2,(H,26,30)(H,27,29)/t19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...				Bioorg Med Chem 21: 7364-80 (2013) Article DOI: 10.1016/j.bmc.2013.09.054 BindingDB Entry DOI: 10.7270/Q23F4R7S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50021653 (CHEMBL3297759) Show SMILES NC[C@@H](NC(=O)C[C@H]1CNC(=O)c2cc(cn12)-c1cccc(F)c1)C1CCCCC1 |r| Show InChI InChI=1S/C23H29FN4O2/c24-18-8-4-7-16(9-18)17-10-21-23(30)26-13-19(28(21)14-17)11-22(29)27-20(12-25)15-5-2-1-3-6-15/h4,7-10,14-15,19-20H,1-3,5-6,11-13,25H2,(H,26,30)(H,27,29)/t19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...				Bioorg Med Chem 21: 7364-80 (2013) Article DOI: 10.1016/j.bmc.2013.09.054 BindingDB Entry DOI: 10.7270/Q23F4R7S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50021618 (CHEMBL3297762 | US9145418, 2) Show SMILES CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r| Show InChI InChI=1S/C28H38ClN5O2/c1-32-10-12-33(13-11-32)19-25(20-6-3-2-4-7-20)31-27(35)16-24-17-30-28(36)26-15-22(18-34(24)26)21-8-5-9-23(29)14-21/h5,8-9,14-15,18,20,24-25H,2-4,6-7,10-13,16-17,19H2,1H3,(H,30,36)(H,31,35)/t24-,25+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human PIM3 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...				Bioorg Med Chem 21: 7364-80 (2013) Article DOI: 10.1016/j.bmc.2013.09.054 BindingDB Entry DOI: 10.7270/Q23F4R7S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50021621 (CHEMBL3297765) Show SMILES CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2ccnc(F)c2)C2CCCCC2)CC1 |r| Show InChI InChI=1S/C27H37FN6O2/c1-32-9-11-33(12-10-32)18-23(19-5-3-2-4-6-19)31-26(35)15-22-16-30-27(36)24-13-21(17-34(22)24)20-7-8-29-25(28)14-20/h7-8,13-14,17,19,22-23H,2-6,9-12,15-16,18H2,1H3,(H,30,36)(H,31,35)/t22-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...				Bioorg Med Chem 21: 7364-80 (2013) Article DOI: 10.1016/j.bmc.2013.09.054 BindingDB Entry DOI: 10.7270/Q23F4R7S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50021647 (CHEMBL3298889) Show SMILES NC[C@@H](NC(=O)C[C@H]1CNC(=O)c2cc(cn12)-c1ccnc(F)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H22FN5O2/c23-20-9-15(6-7-25-20)16-8-19-22(30)26-12-17(28(19)13-16)10-21(29)27-18(11-24)14-4-2-1-3-5-14/h1-9,13,17-18H,10-12,24H2,(H,26,30)(H,27,29)/t17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...				Bioorg Med Chem 21: 7364-80 (2013) Article DOI: 10.1016/j.bmc.2013.09.054 BindingDB Entry DOI: 10.7270/Q23F4R7S
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167422 (US9073893, 22) Show SMILES Cn1n(C2CCN(CC2)C2CCCCC2)c(=O)c2c(cc(F)cc12)C(N)=O Show InChI InChI=1S/C20H27FN4O2/c1-23-17-12-13(21)11-16(19(22)26)18(17)20(27)25(23)15-7-9-24(10-8-15)14-5-3-2-4-6-14/h11-12,14-15H,2-10H2,1H3,(H2,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50021650 (CHEMBL3298892) Show SMILES OC[C@@H](NC(=O)C[C@H]1CNC(=O)c2cc(cn12)-c1cccc(F)c1)C1CCCCC1 |r| Show InChI InChI=1S/C23H28FN3O3/c24-18-8-4-7-16(9-18)17-10-21-23(30)25-12-19(27(21)13-17)11-22(29)26-20(14-28)15-5-2-1-3-6-15/h4,7-10,13,15,19-20,28H,1-3,5-6,11-12,14H2,(H,25,30)(H,26,29)/t19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...				Bioorg Med Chem 21: 7364-80 (2013) Article DOI: 10.1016/j.bmc.2013.09.054 BindingDB Entry DOI: 10.7270/Q23F4R7S
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240707 (US9422243, 4) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(N2CCOCC2)c(Br)c1 Show InChI InChI=1S/C21H21BrFN3O3/c22-17-11-13(1-4-18(17)26-6-9-28-10-7-26)19-20(29-8-5-24)15-3-2-14(23)12-16(15)21(27)25-19/h1-4,11-12H,5-10,24H2,(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description Studies were performed as follows: 6000 cells/well were seeded in 96 well plates (Perkin Elmer) in MEM/10% FCS and incubated for 24 hs at 37° C.,...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240714 (US9422243, 12) Show SMILES NCCOc1c([nH]c(=O)c2c(F)c(F)ccc12)-c1ccc(Br)cc1 Show InChI InChI=1S/C17H13BrF2N2O2/c18-10-3-1-9(2-4-10)15-16(24-8-7-21)11-5-6-12(19)14(20)13(11)17(23)22-15/h1-6H,7-8,21H2,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description Studies were performed as follows: 6000 cells/well were seeded in 96 well plates (Perkin Elmer) in MEM/10% FCS and incubated for 24 hs at 37° C.,...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167419 (US9073893, 18) Show SMILES Cn1n(C2CCN(CC2)C2CCC2)c(=O)c2c(cccc12)C(N)=O Show InChI InChI=1S/C18H24N4O2/c1-20-15-7-3-6-14(17(19)23)16(15)18(24)22(20)13-8-10-21(11-9-13)12-4-2-5-12/h3,6-7,12-13H,2,4-5,8-11H2,1H3,(H2,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50021619 (CHEMBL3297763) Show SMILES CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2ccc(F)c(F)c2)C2CCCCC2)CC1 |r| Show InChI InChI=1S/C28H37F2N5O2/c1-33-9-11-34(12-10-33)18-25(19-5-3-2-4-6-19)32-27(36)15-22-16-31-28(37)26-14-21(17-35(22)26)20-7-8-23(29)24(30)13-20/h7-8,13-14,17,19,22,25H,2-6,9-12,15-16,18H2,1H3,(H,31,37)(H,32,36)/t22-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...				Bioorg Med Chem 21: 7364-80 (2013) Article DOI: 10.1016/j.bmc.2013.09.054 BindingDB Entry DOI: 10.7270/Q23F4R7S
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167412 (US9073893, 5) Show SMILES Cn1n(C2CCN(CC2)C2CCCCC2)c(=O)c2c(cccc12)C(N)=O Show InChI InChI=1S/C20H28N4O2/c1-22-17-9-5-8-16(19(21)25)18(17)20(26)24(22)15-10-12-23(13-11-15)14-6-3-2-4-7-14/h5,8-9,14-15H,2-4,6-7,10-13H2,1H3,(H2,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM124951 (US8765972, 4) Show SMILES C[C@@H]1N(C2CCN(CC2)C2CCCCC2)C(=O)c2c1cccc2C(N)=O |r| Show InChI InChI=1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of PARP1 in human HeLa cells assessed as reduction in H2O2-induced PAR formation incubated for 30 mins followed by H2O2 addition for 15 mi...				ACS Med Chem Lett 10: 534-538 (2019) Article DOI: 10.1021/acsmedchemlett.8b00569 BindingDB Entry DOI: 10.7270/Q2VQ365G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50021618 (CHEMBL3297762 | US9145418, 2) Show SMILES CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r| Show InChI InChI=1S/C28H38ClN5O2/c1-32-10-12-33(13-11-32)19-25(20-6-3-2-4-7-20)31-27(35)16-24-17-30-28(36)26-15-22(18-34(24)26)21-8-5-9-23(29)14-21/h5,8-9,14-15,18,20,24-25H,2-4,6-7,10-13,16-17,19H2,1H3,(H,30,36)(H,31,35)/t24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...				Bioorg Med Chem 21: 7364-80 (2013) Article DOI: 10.1016/j.bmc.2013.09.054 BindingDB Entry DOI: 10.7270/Q23F4R7S
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240705 (US9422243, 2) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H14F4N2O2/c19-12-4-5-13-14(9-12)17(25)24-15(16(13)26-7-6-23)10-2-1-3-11(8-10)18(20,21)22/h1-5,8-9H,6-7,23H2,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description Studies were performed as follows: 6000 cells/well were seeded in 96 well plates (Perkin Elmer) in MEM/10% FCS and incubated for 24 hs at 37° C.,...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50021641 (CHEMBL3298822) Show SMILES Clc1nccc(n1)-c1cc2C(=O)NCC(CC(=O)NCC3CCCCC3)n2c1 Show InChI InChI=1S/C20H24ClN5O2/c21-20-22-7-6-16(25-20)14-8-17-19(28)24-11-15(26(17)12-14)9-18(27)23-10-13-4-2-1-3-5-13/h6-8,12-13,15H,1-5,9-11H2,(H,23,27)(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...				Bioorg Med Chem 21: 7364-80 (2013) Article DOI: 10.1016/j.bmc.2013.09.054 BindingDB Entry DOI: 10.7270/Q23F4R7S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50021624 (CHEMBL3297766 | US9145418, 23) Show SMILES CN(C)C1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r| Show InChI InChI=1S/C30H42ClN5O2/c1-34(2)25-11-13-35(14-12-25)20-27(21-7-4-3-5-8-21)33-29(37)17-26-18-32-30(38)28-16-23(19-36(26)28)22-9-6-10-24(31)15-22/h6,9-10,15-16,19,21,25-27H,3-5,7-8,11-14,17-18,20H2,1-2H3,(H,32,38)(H,33,37)/t26-,27+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human PIM2 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...				Bioorg Med Chem 21: 7364-80 (2013) Article DOI: 10.1016/j.bmc.2013.09.054 BindingDB Entry DOI: 10.7270/Q23F4R7S
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM138348 (US8877944, 99) Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12 Show InChI InChI=1S/C20H24F3N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...				J Med Chem 58: 6875-98 (2015) Article DOI: 10.1021/acs.jmedchem.5b00680 BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM138344 (US8877944, 49) Show SMILES Cc1cccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)c1 Show InChI InChI=1S/C23H27N3O2/c1-16-4-2-5-18(12-16)13-25-10-8-17(9-11-25)14-26-15-19-6-3-7-20(22(24)27)21(19)23(26)28/h2-7,12,17H,8-11,13-15H2,1H3,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...				J Med Chem 58: 6875-98 (2015) Article DOI: 10.1021/acs.jmedchem.5b00680 BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138344 (US8877944, 49) Show SMILES Cc1cccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)c1 Show InChI InChI=1S/C23H27N3O2/c1-16-4-2-5-18(12-16)13-25-10-8-17(9-11-25)14-26-15-19-6-3-7-20(22(24)27)21(19)23(26)28/h2-7,12,17H,8-11,13-15H2,1H3,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50021643 (CHEMBL3298886) Show SMILES Clc1cccc(c1)-c1cc2C(=O)NCC(CC(=O)NCc3ccco3)n2c1 Show InChI InChI=1S/C20H18ClN3O3/c21-15-4-1-3-13(7-15)14-8-18-20(26)23-10-16(24(18)12-14)9-19(25)22-11-17-5-2-6-27-17/h1-8,12,16H,9-11H2,(H,22,25)(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...				Bioorg Med Chem 21: 7364-80 (2013) Article DOI: 10.1016/j.bmc.2013.09.054 BindingDB Entry DOI: 10.7270/Q23F4R7S
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167427 (US9073893, 65) Show SMILES Cn1n(C2CCN(CC3CCC=CC3)CC2)c(=O)c2c(cccc12)C(N)=O |c:11| Show InChI InChI=1S/C21H28N4O2/c1-23-18-9-5-8-17(20(22)26)19(18)21(27)25(23)16-10-12-24(13-11-16)14-15-6-3-2-4-7-15/h2-3,5,8-9,15-16H,4,6-7,10-14H2,1H3,(H2,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167416 (US9073893, 9) Show SMILES Cn1n(C2CCNCC2)c(=O)c2c(cccc12)C(N)=O Show InChI InChI=1S/C14H18N4O2/c1-17-11-4-2-3-10(13(15)19)12(11)14(20)18(17)9-5-7-16-8-6-9/h2-4,9,16H,5-8H2,1H3,(H2,15,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM124950 (US8765972, 3) Show SMILES CC1N(C2CCN(CC2)C2CCCCC2)C(=O)c2c1cccc2C(N)=O Show InChI InChI=1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of PARP1 in human HeLa cells assessed as reduction in H2O2-induced PAR formation incubated for 30 mins followed by H2O2 addition for 15 mi...				ACS Med Chem Lett 10: 534-538 (2019) Article DOI: 10.1021/acsmedchemlett.8b00569 BindingDB Entry DOI: 10.7270/Q2VQ365G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240712 (US9422243, 10) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C17H14F2N2O2/c18-11-3-1-10(2-4-11)15-16(23-8-7-20)13-6-5-12(19)9-14(13)17(22)21-15/h1-6,9H,7-8,20H2,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description Studies were performed as follows: 6000 cells/well were seeded in 96 well plates (Perkin Elmer) in MEM/10% FCS and incubated for 24 hs at 37° C.,...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50021625 (CHEMBL3298823) Show SMILES Fc1cccc(CNC(=O)CC2CNC(=O)c3cc(cn23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C19H18FN5O2/c20-15-3-1-2-12(4-15)7-21-18(26)6-16-10-22-19(27)17-5-13(11-25(16)17)14-8-23-24-9-14/h1-5,8-9,11,16H,6-7,10H2,(H,21,26)(H,22,27)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem 21: 7364-80 (2013) Article DOI: 10.1016/j.bmc.2013.09.054 BindingDB Entry DOI: 10.7270/Q23F4R7S
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240719 (US9422243, 19) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H17FN2O4/c20-12-2-3-13-14(10-12)19(23)22-17(18(13)26-6-5-21)11-1-4-15-16(9-11)25-8-7-24-15/h1-4,9-10H,5-8,21H2,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description Studies were performed as follows: 6000 cells/well were seeded in 96 well plates (Perkin Elmer) in MEM/10% FCS and incubated for 24 hs at 37° C.,...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM167426 (US9073893, 62) Show SMILES NC(=O)c1cccc2[nH]n(C3CCN(Cc4cccs4)CC3)c(=O)c12 Show InChI InChI=1S/C18H20N4O2S/c19-17(23)14-4-1-5-15-16(14)18(24)22(20-15)12-6-8-21(9-7-12)11-13-3-2-10-25-13/h1-5,10,12,20H,6-9,11H2,(H2,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC)....				US Patent US9073893 (2015) BindingDB Entry DOI: 10.7270/Q2WM1C52
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50021639 (CHEMBL3298820) Show SMILES Fc1cccc(c1)-c1cc2C(=O)NCC(CC(=O)NCC3CCCCC3)n2c1 Show InChI InChI=1S/C22H26FN3O2/c23-18-8-4-7-16(9-18)17-10-20-22(28)25-13-19(26(20)14-17)11-21(27)24-12-15-5-2-1-3-6-15/h4,7-10,14-15,19H,1-3,5-6,11-13H2,(H,24,27)(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...				Bioorg Med Chem 21: 7364-80 (2013) Article DOI: 10.1016/j.bmc.2013.09.054 BindingDB Entry DOI: 10.7270/Q23F4R7S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50021618 (CHEMBL3297762 | US9145418, 2) Show SMILES CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r| Show InChI InChI=1S/C28H38ClN5O2/c1-32-10-12-33(13-11-32)19-25(20-6-3-2-4-7-20)31-27(35)16-24-17-30-28(36)26-15-22(18-34(24)26)21-8-5-9-23(29)14-21/h5,8-9,14-15,18,20,24-25H,2-4,6-7,10-13,16-17,19H2,1H3,(H,30,36)(H,31,35)/t24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human PIM2 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...				Bioorg Med Chem 21: 7364-80 (2013) Article DOI: 10.1016/j.bmc.2013.09.054 BindingDB Entry DOI: 10.7270/Q23F4R7S
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138342 (US8877944, 47) Show SMILES Cc1ccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)cc1 Show InChI InChI=1S/C23H27N3O2/c1-16-5-7-17(8-6-16)13-25-11-9-18(10-12-25)14-26-15-19-3-2-4-20(22(24)27)21(19)23(26)28/h2-8,18H,9-15H2,1H3,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138354 (US8877944, 105) Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(Cl)(Cl)CC3)C(=O)c12 Show InChI InChI=1S/C20H24Cl2FN3O2/c21-20(22)5-1-14(2-6-20)25-7-3-15(4-8-25)26-11-12-9-13(23)10-16(18(24)27)17(12)19(26)28/h9-10,14-15H,1-8,11H2,(H2,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM240720 (US9422243, 20) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C18H15FN2O4/c19-11-2-3-12-13(8-11)18(22)21-16(17(12)23-6-5-20)10-1-4-14-15(7-10)25-9-24-14/h1-4,7-8H,5-6,9,20H2,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	37
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description Studies were performed as follows: 6000 cells/well were seeded in 96 well plates (Perkin Elmer) in MEM/10% FCS and incubated for 24 hs at 37° C.,...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Mus musculus)	BDBM138349 (US8877944, 103) Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(=O)CC3)C(=O)c12 Show InChI InChI=1S/C20H24FN3O3/c21-13-9-12-11-24(20(27)18(12)17(10-13)19(22)26)15-5-7-23(8-6-15)14-1-3-16(25)4-2-14/h9-10,14-15H,1-8,11H2,(H2,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...				US Patent US8877944 (2014) BindingDB Entry DOI: 10.7270/Q2NG4PBM
					More data for this Ligand-Target Pair

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