Compile Data Set for Download or QSAR

Found 907 hits with Last Name = 'scolaro' and Initial = 'a'   

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
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
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50329419 (5-(2-amino-5-bromopyrimidin-4-yl)-2-p-tolyl-1H-pyr...) Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1nc(N)ncc1Br Show InChI InChI=1S/C15H12BrN5O/c16-10-7-19-15(18)21-13(10)11-6-9(14(17)22)12(20-11)8-4-2-1-3-5-8/h1-7,20H,(H2,17,22)(H2,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of Cdc7				J Med Chem 53: 7296-315 (2010) Article DOI: 10.1021/jm100504d BindingDB Entry DOI: 10.7270/Q24T6JM3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50343559 (1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-...) Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C24H27F3N8O3/c1-33-6-8-34(9-7-33)15-3-5-18(38-24(25,26)27)17(12-15)30-23-29-13-14-2-4-16-20(22(28)37)32-35(10-11-36)21(16)19(14)31-23/h3,5,12-13,36H,2,4,6-11H2,1H3,(H2,28,37)(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of PLK1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting				Bioorg Med Chem Lett 21: 2969-74 (2011) Article DOI: 10.1016/j.bmcl.2011.03.054 BindingDB Entry DOI: 10.7270/Q27M088W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27359 (7-ethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,...) Show SMILES CCC1CNC(=O)c2cc([nH]c12)-c1ccncc1 Show InChI InChI=1S/C14H15N3O/c1-2-9-8-16-14(18)11-7-12(17-13(9)11)10-3-5-15-6-4-10/h3-7,9,17H,2,8H2,1H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27371 (2-(2-aminopyrimidin-4-yl)-7,7-dimethyl-1H,4H,5H,6H...) Show SMILES CC1(C)CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1 Show InChI InChI=1S/C13H15N5O/c1-13(2)6-16-11(19)7-5-9(17-10(7)13)8-3-4-15-12(14)18-8/h3-5,17H,6H2,1-2H3,(H,16,19)(H2,14,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27391 (5,13,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]h...) Show SMILES O=C1NCCc2[nH]c3c(ccc4cnccc34)c12 Show InChI InChI=1S/C14H11N3O/c18-14-12-10-2-1-8-7-15-5-3-9(8)13(10)17-11(12)4-6-16-14/h1-3,5,7,17H,4,6H2,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 51: 487-501 (2008) Article DOI: 10.1021/jm700956r BindingDB Entry DOI: 10.7270/Q247485B
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27362 (7-(2-fluoroethyl)-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-...) Show SMILES FCCC1CNC(=O)c2cc([nH]c12)-c1ccncc1 Show InChI InChI=1S/C14H14FN3O/c15-4-1-10-8-17-14(19)11-7-12(18-13(10)11)9-2-5-16-6-3-9/h2-3,5-7,10,18H,1,4,8H2,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27380 ((7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1...) Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)[C@@H](CCF)CNC2=O |r| Show InChI InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)/t7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50329914 (1-methyl-8-(5-(4-methylpiperazin-1-yl)-2-(trifluor...) Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C23H25F3N8O2/c1-32-7-9-34(10-8-32)14-4-6-17(36-23(24,25)26)16(11-14)29-22-28-12-13-3-5-15-19(21(27)35)31-33(2)20(15)18(13)30-22/h4,6,11-12H,3,5,7-10H2,1-2H3,(H2,27,35)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of PLK1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting				Bioorg Med Chem Lett 21: 2969-74 (2011) Article DOI: 10.1016/j.bmcl.2011.03.054 BindingDB Entry DOI: 10.7270/Q27M088W
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50343568 (1-methyl-8-(5-(1-methyl-1,2,3,6-tetrahydropyridin-...) Show SMILES CN1CCC(=CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 |c:4| Show InChI InChI=1S/C24H24F3N7O2/c1-33-9-7-13(8-10-33)14-4-6-18(36-24(25,26)27)17(11-14)30-23-29-12-15-3-5-16-20(22(28)35)32-34(2)21(16)19(15)31-23/h4,6-7,11-12H,3,5,8-10H2,1-2H3,(H2,28,35)(H,29,30,31)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of PLK1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting				Bioorg Med Chem Lett 21: 2969-74 (2011) Article DOI: 10.1016/j.bmcl.2011.03.054 BindingDB Entry DOI: 10.7270/Q27M088W
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27361 (7-cyclobutyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrro...) Show SMILES O=C1NCC(C2CCC2)c2[nH]c(cc12)-c1ccncc1 Show InChI InChI=1S/C16H17N3O/c20-16-12-8-14(11-4-6-17-7-5-11)19-15(12)13(9-18-16)10-2-1-3-10/h4-8,10,13,19H,1-3,9H2,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27413 (2-(2-aminopyrimidin-4-yl)-1-(2-fluoroethyl)-1H,4H,...) Show SMILES Nc1nccc(n1)-c1cc2c(CCNC2=O)n1CCF Show InChI InChI=1S/C13H14FN5O/c14-3-6-19-10-2-5-16-12(20)8(10)7-11(19)9-1-4-17-13(15)18-9/h1,4,7H,2-3,5-6H2,(H,16,20)(H2,15,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 51: 487-501 (2008) Article DOI: 10.1021/jm700956r BindingDB Entry DOI: 10.7270/Q247485B
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27370 (2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1H,4H,...) Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CCF)CNC2=O Show InChI InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27348 (6-(2-methylpropyl)-2-(pyridin-4-yl)-1H,4H,5H,6H,7H...) Show SMILES CC(C)CC1Cc2[nH]c(cc2C(=O)N1)-c1ccncc1 Show InChI InChI=1S/C16H19N3O/c1-10(2)7-12-8-15-13(16(20)18-12)9-14(19-15)11-3-5-17-6-4-11/h3-6,9-10,12,19H,7-8H2,1-2H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27363 (7,7-dimethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrro...) Show SMILES CC1(C)CNC(=O)c2cc([nH]c12)-c1ccncc1 Show InChI InChI=1S/C14H15N3O/c1-14(2)8-16-13(18)10-7-11(17-12(10)14)9-3-5-15-6-4-9/h3-7,17H,8H2,1-2H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27412 (2-(2-aminopyrimidin-4-yl)-1-(cyclopropylmethyl)-1H...) Show SMILES Nc1nccc(n1)-c1cc2c(CCNC2=O)n1CC1CC1 Show InChI InChI=1S/C15H17N5O/c16-15-18-5-3-11(19-15)13-7-10-12(4-6-17-14(10)21)20(13)8-9-1-2-9/h3,5,7,9H,1-2,4,6,8H2,(H,17,21)(H2,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 51: 487-501 (2008) Article DOI: 10.1021/jm700956r BindingDB Entry DOI: 10.7270/Q247485B
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27390 (2-(2-amino-5-bromopyrimidin-4-yl)-1H,4H,5H,6H,7H-p...) Show SMILES Nc1ncc(Br)c(n1)-c1cc2c(CCNC2=O)[nH]1 Show InChI InChI=1S/C11H10BrN5O/c12-6-4-15-11(13)17-9(6)8-3-5-7(16-8)1-2-14-10(5)18/h3-4,16H,1-2H2,(H,14,18)(H2,13,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 51: 487-501 (2008) Article DOI: 10.1021/jm700956r BindingDB Entry DOI: 10.7270/Q247485B
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27377 (2-(2-aminopyrimidin-4-yl)-7-(2-hydroxyethyl)-1H,4H...) Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CCO)CNC2=O Show InChI InChI=1S/C13H15N5O2/c14-13-15-3-1-9(18-13)10-5-8-11(17-10)7(2-4-19)6-16-12(8)20/h1,3,5,7,17,19H,2,4,6H2,(H,16,20)(H2,14,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27368 (2-(2-aminopyrimidin-4-yl)-7-(propan-2-yl)-1H,4H,5H...) Show SMILES CC(C)C1CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1 Show InChI InChI=1S/C14H17N5O/c1-7(2)9-6-17-13(20)8-5-11(18-12(8)9)10-3-4-16-14(15)19-10/h3-5,7,9,18H,6H2,1-2H3,(H,17,20)(H2,15,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50329420 (5-(2-amino-5-chloropyrimidin-4-yl)-2-p-tolyl-1H-py...) Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1nc(N)ncc1Cl Show InChI InChI=1S/C15H12ClN5O/c16-10-7-19-15(18)21-13(10)11-6-9(14(17)22)12(20-11)8-4-2-1-3-5-8/h1-7,20H,(H2,17,22)(H2,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 Srl Curated by ChEMBL					Assay Description Inhibition of Cdc7				J Med Chem 53: 7296-315 (2010) Article DOI: 10.1021/jm100504d BindingDB Entry DOI: 10.7270/Q24T6JM3
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27367 (2-(2-aminopyrimidin-4-yl)-7-ethyl-1H,4H,5H,6H,7H-p...) Show SMILES CCC1CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1 Show InChI InChI=1S/C13H15N5O/c1-2-7-6-16-12(19)8-5-10(17-11(7)8)9-3-4-15-13(14)18-9/h3-5,7,17H,2,6H2,1H3,(H,16,19)(H2,14,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27369 (2-(2-aminopyrimidin-4-yl)-7-cyclobutyl-1H,4H,5H,6H...) Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CNC2=O)C1CCC1 Show InChI InChI=1S/C15H17N5O/c16-15-17-5-4-11(20-15)12-6-9-13(19-12)10(7-18-14(9)21)8-2-1-3-8/h4-6,8,10,19H,1-3,7H2,(H,18,21)(H2,16,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27379 ((7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1...) Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)[C@H](CCF)CNC2=O |r| Show InChI InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27406 (2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)...) Show SMILES Nc1nccc(n1)-c1cc2c(CCNC2=O)n1CC(F)(F)F Show InChI InChI=1S/C13H12F3N5O/c14-13(15,16)6-21-9-2-4-18-11(22)7(9)5-10(21)8-1-3-19-12(17)20-8/h1,3,5H,2,4,6H2,(H,18,22)(H2,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 51: 487-501 (2008) Article DOI: 10.1021/jm700956r BindingDB Entry DOI: 10.7270/Q247485B
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27347 (6-cyclopropyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrr...) Show SMILES O=C1NC(Cc2[nH]c(cc12)-c1ccncc1)C1CC1 Show InChI InChI=1S/C15H15N3O/c19-15-11-7-12(10-3-5-16-6-4-10)17-14(11)8-13(18-15)9-1-2-9/h3-7,9,13,17H,1-2,8H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27372 (2-(2-aminopyrimidin-4-yl)-7,7-diethyl-1H,4H,5H,6H,...) Show SMILES CCC1(CC)CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1 Show InChI InChI=1S/C15H19N5O/c1-3-15(4-2)8-18-13(21)9-7-11(19-12(9)15)10-5-6-17-14(16)20-10/h5-7,19H,3-4,8H2,1-2H3,(H,18,21)(H2,16,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50343569 (9-methyl-2-(5-(1-methylpiperidin-4-yl)-2-(trifluor...) Show SMILES CN1CCC(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(cn(C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C25H27F3N6O2/c1-33-9-7-14(8-10-33)15-4-6-20(36-25(26,27)28)19(11-15)31-24-30-12-16-3-5-17-18(23(29)35)13-34(2)22(17)21(16)32-24/h4,6,11-14H,3,5,7-10H2,1-2H3,(H2,29,35)(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of PLK1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting				Bioorg Med Chem Lett 21: 2969-74 (2011) Article DOI: 10.1016/j.bmcl.2011.03.054 BindingDB Entry DOI: 10.7270/Q27M088W
					More data for this Ligand-Target Pair				3D Structure (docked)
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27346 (6-(propan-2-yl)-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-py...) Show SMILES CC(C)C1Cc2[nH]c(cc2C(=O)N1)-c1ccncc1 Show InChI InChI=1S/C15H17N3O/c1-9(2)12-8-14-11(15(19)18-12)7-13(17-14)10-3-5-16-6-4-10/h3-7,9,12,17H,8H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					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
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27366 (2-(2-aminopyrimidin-4-yl)-7-methyl-1H,4H,5H,6H,7H-...) Show SMILES CC1CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1 Show InChI InChI=1S/C12H13N5O/c1-6-5-15-11(18)7-4-9(16-10(6)7)8-2-3-14-12(13)17-8/h2-4,6,16H,5H2,1H3,(H,15,18)(H2,13,14,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27364 (7,7-diethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrol...) Show SMILES CCC1(CC)CNC(=O)c2cc([nH]c12)-c1ccncc1 Show InChI InChI=1S/C16H19N3O/c1-3-16(4-2)10-18-15(20)12-9-13(19-14(12)16)11-5-7-17-8-6-11/h5-9,19H,3-4,10H2,1-2H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27351 (2-(2-aminopyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3...) Show SMILES Nc1nccc(n1)-c1cc2c(CCNC2=O)[nH]1 Show InChI InChI=1S/C11H11N5O/c12-11-14-4-2-8(16-11)9-5-6-7(15-9)1-3-13-10(6)17/h2,4-5,15H,1,3H2,(H,13,17)(H2,12,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27421 (2-[2-(phenylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-p...) Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(Nc2ccccc2)n1 Show InChI InChI=1S/C17H15N5O/c23-16-12-10-15(21-13(12)6-8-18-16)14-7-9-19-17(22-14)20-11-4-2-1-3-5-11/h1-5,7,9-10,21H,6,8H2,(H,18,23)(H,19,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 51: 487-501 (2008) Article DOI: 10.1021/jm700956r BindingDB Entry DOI: 10.7270/Q247485B
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27351 (2-(2-aminopyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3...) Show SMILES Nc1nccc(n1)-c1cc2c(CCNC2=O)[nH]1 Show InChI InChI=1S/C11H11N5O/c12-11-14-4-2-8(16-11)9-5-6-7(15-9)1-3-13-10(6)17/h2,4-5,15H,1,3H2,(H,13,17)(H2,12,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 51: 487-501 (2008) Article DOI: 10.1021/jm700956r BindingDB Entry DOI: 10.7270/Q247485B
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27375 (2-(2-aminopyrimidin-4-yl)-7-[2-(benzyloxy)ethyl]-1...) Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CCOCc1ccccc1)CNC2=O Show InChI InChI=1S/C20H21N5O2/c21-20-22-8-6-16(25-20)17-10-15-18(24-17)14(11-23-19(15)26)7-9-27-12-13-4-2-1-3-5-13/h1-6,8,10,14,24H,7,9,11-12H2,(H,23,26)(H2,21,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50329417 (5-(3-Fluoro-pyridin-4-yl)-2-phenyl-1H-pyrrole-3-ca...) Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccncc1F Show InChI InChI=1S/C16H12FN3O/c17-13-9-19-7-6-11(13)14-8-12(16(18)21)15(20-14)10-4-2-1-3-5-10/h1-9,20H,(H2,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of Cdc7				J Med Chem 53: 7296-315 (2010) Article DOI: 10.1021/jm100504d BindingDB Entry DOI: 10.7270/Q24T6JM3
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50329416 (2-(2-Fluoro-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-ca...) Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1F)-c1ccncc1 Show InChI InChI=1S/C16H12FN3O/c17-13-4-2-1-3-11(13)15-12(16(18)21)9-14(20-15)10-5-7-19-8-6-10/h1-9,20H,(H2,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of Cdc7				J Med Chem 53: 7296-315 (2010) Article DOI: 10.1021/jm100504d BindingDB Entry DOI: 10.7270/Q24T6JM3
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27404 (2-(2-aminopyrimidin-4-yl)-1-ethyl-1H,4H,5H,6H,7H-p...) Show SMILES CCn1c2CCNC(=O)c2cc1-c1ccnc(N)n1 Show InChI InChI=1S/C13H15N5O/c1-2-18-10-4-6-15-12(19)8(10)7-11(18)9-3-5-16-13(14)17-9/h3,5,7H,2,4,6H2,1H3,(H,15,19)(H2,14,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 51: 487-501 (2008) Article DOI: 10.1021/jm700956r BindingDB Entry DOI: 10.7270/Q247485B
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27355 (2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1H,4H...) Show SMILES CC(C)CC1Cc2[nH]c(cc2C(=O)N1)-c1ccnc(N)n1 Show InChI InChI=1S/C15H19N5O/c1-8(2)5-9-6-12-10(14(21)18-9)7-13(19-12)11-3-4-17-15(16)20-11/h3-4,7-9,19H,5-6H2,1-2H3,(H,18,21)(H2,16,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50361088 (CHEMBL1933582) Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1 Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 srl Curated by ChEMBL					Assay Description Inhibition of PLK1				Bioorg Med Chem Lett 22: 96-101 (2011) Article DOI: 10.1016/j.bmcl.2011.11.065 BindingDB Entry DOI: 10.7270/Q2W959NX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50329418 (2-Phenyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide |...) Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C16H13N3O/c17-16(20)13-10-14(11-6-8-18-9-7-11)19-15(13)12-4-2-1-3-5-12/h1-10,19H,(H2,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 Srl Curated by ChEMBL					Assay Description Inhibition of Cdc7				J Med Chem 53: 7296-315 (2010) Article DOI: 10.1021/jm100504d BindingDB Entry DOI: 10.7270/Q24T6JM3
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27382 (2-(3-fluoropyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,...) Show SMILES Fc1cnccc1-c1cc2c(CCNC2=O)[nH]1 Show InChI InChI=1S/C12H10FN3O/c13-9-6-14-3-1-7(9)11-5-8-10(16-11)2-4-15-12(8)17/h1,3,5-6,16H,2,4H2,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 51: 487-501 (2008) Article DOI: 10.1021/jm700956r BindingDB Entry DOI: 10.7270/Q247485B
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27358 (7-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3...) Show SMILES CC1CNC(=O)c2cc([nH]c12)-c1ccncc1 Show InChI InChI=1S/C13H13N3O/c1-8-7-15-13(17)10-6-11(16-12(8)10)9-2-4-14-5-3-9/h2-6,8,16H,7H2,1H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27374 (2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl...) Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CCC(F)(F)F)CNC2=O Show InChI InChI=1S/C14H14F3N5O/c15-14(16,17)3-1-7-6-20-12(23)8-5-10(21-11(7)8)9-2-4-19-13(18)22-9/h2,4-5,7,21H,1,3,6H2,(H,20,23)(H2,18,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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 Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27344 (2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...) Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1 Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27360 (7-(propan-2-yl)-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-py...) Show SMILES CC(C)C1CNC(=O)c2cc([nH]c12)-c1ccncc1 Show InChI InChI=1S/C15H17N3O/c1-9(2)12-8-17-15(19)11-7-13(18-14(11)12)10-3-5-16-6-4-10/h3-7,9,12,18H,8H2,1-2H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.9	25
Nerviano Medical Sciences Srl					Assay Description The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...				J Med Chem 52: 293-307 (2009) Article DOI: 10.1021/jm800977q BindingDB Entry DOI: 10.7270/Q27W69JX
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM27344 (2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...) Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1 Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of Cdc7				J Med Chem 53: 7296-315 (2010) Article DOI: 10.1021/jm100504d BindingDB Entry DOI: 10.7270/Q24T6JM3
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 (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

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