Compile Data Set for Download or QSAR

Found 298 hits with Last Name = 'rainoldi' and Initial = 's'   

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
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279340 ((Z)-2-[(Furan-2-ylmethyl)-amino]-5-[1-(1H-pyrrolo[...) Show SMILES O=C1N=C(NCc2ccco2)SC1=Cc1c[nH]c2ncccc12 |w:13.15,t:2| Show InChI InChI=1S/C16H12N4O2S/c21-15-13(7-10-8-18-14-12(10)4-1-5-17-14)23-16(20-15)19-9-11-3-2-6-22-11/h1-8H,9H2,(H,17,18)(H,19,20,21)	PDB Reactome pathway KEGG 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
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279338 ((Z)-2-(Benzylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-...) Show SMILES O=C1N=C(NCc2ccccc2)SC1=Cc1c[nH]c2ncccc12 |w:14.16,t:2| Show InChI InChI=1S/C18H14N4OS/c23-17-15(9-13-11-20-16-14(13)7-4-8-19-16)24-18(22-17)21-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,20)(H,21,22,23)	PDB Reactome pathway KEGG 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
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279339 ((Z)-2-Isopropylamino-5-[1-(1H-pyrrolo[2,3-b]pyridi...) Show SMILES CC(C)NC1=NC(=O)C(S1)=Cc1c[nH]c2ncccc12 |w:10.11,t:4| Show InChI InChI=1S/C14H14N4OS/c1-8(2)17-14-18-13(19)11(20-14)6-9-7-16-12-10(9)4-3-5-15-12/h3-8H,1-2H3,(H,15,16)(H,17,18,19)	PDB Reactome pathway KEGG 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
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					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 Oncology Curated by ChEMBL					Assay Description Inhibition of cdc7				Nat Chem Biol 4: 357-65 (2008) Article DOI: 10.1038/nchembio.90 BindingDB Entry DOI: 10.7270/Q2DV1KVK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279251 ((Z)-2-[(4-Methylcyclohexyl)amino]-5-(1H-pyrrolo[2,...) Show SMILES CC1CCC(CC1)NC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:11.12,t:9,(.42,-45.49,;.45,-43.95,;-.87,-43.15,;-.85,-41.62,;.49,-40.87,;1.82,-41.65,;1.79,-43.19,;.51,-39.33,;-.9,-38.71,;-2.23,-39.48,;-3.38,-38.44,;-4.88,-38.76,;-5.36,-40.22,;-4.44,-41.48,;-5.36,-42.74,;-6.83,-42.26,;-8.17,-43.03,;-9.5,-42.26,;-9.5,-40.71,;-8.17,-39.94,;-6.83,-40.71,;-2.75,-37.04,;-3.52,-35.71,;-1.22,-37.2,)| Show InChI InChI=1S/C18H21N5O/c1-11-4-6-13(7-5-11)21-18-22-15(17(24)23-18)9-12-10-20-16-14(12)3-2-8-19-16/h2-3,8-11,13H,4-7H2,1H3,(H,19,20)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279285 ((Z)-2-(Isopropylamino)-5-(1H-pyrrolo[2,3-b]pyridin...) Show SMILES CC(C)NC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:7.7,t:4| Show InChI InChI=1S/C14H15N5O/c1-8(2)17-14-18-11(13(20)19-14)6-9-7-16-12-10(9)4-3-5-15-12/h3-8H,1-2H3,(H,15,16)(H2,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279215 ((Z)-2-[(2-Furylmethyl)amino]-5-(1H-pyrrolo[2,3-b]p...) Show SMILES O=C1NC(NCc2ccco2)=NC1=Cc1c[nH]c2ncccc12 |w:13.15,c:11| Show InChI InChI=1S/C16H13N5O2/c22-15-13(7-10-8-18-14-12(10)4-1-5-17-14)20-16(21-15)19-9-11-3-2-6-23-11/h1-8H,9H2,(H,17,18)(H2,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50279338 ((Z)-2-(Benzylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-...) Show SMILES O=C1N=C(NCc2ccccc2)SC1=Cc1c[nH]c2ncccc12 |w:14.16,t:2| Show InChI InChI=1S/C18H14N4OS/c23-17-15(9-13-11-20-16-14(13)7-4-8-19-16)24-18(22-17)21-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,20)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdk9/cyclinT (unknown origin)				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279248 ((Z)-2-[(2-Phenylethyl)amino]-5-(1H-pyrrolo[2,3-b]p...) Show SMILES O=C1NC(NCCc2ccccc2)=NC1=Cc1c[nH]c2ncccc12 |w:15.17,c:13| Show InChI InChI=1S/C19H17N5O/c25-18-16(11-14-12-22-17-15(14)7-4-9-20-17)23-19(24-18)21-10-8-13-5-2-1-3-6-13/h1-7,9,11-12H,8,10H2,(H,20,22)(H2,21,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279247 ((Z)-5-[1-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-methylide...) Show SMILES O=C1NC(NCc2cccs2)=NC1=Cc1c[nH]c2ncccc12 |w:13.15,c:11| Show InChI InChI=1S/C16H13N5OS/c22-15-13(7-10-8-18-14-12(10)4-1-5-17-14)20-16(21-15)19-9-11-3-2-6-23-11/h1-8H,9H2,(H,17,18)(H2,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM5655 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Oncology Curated by ChEMBL					Assay Description Inhibition of cdk9				Nat Chem Biol 4: 357-65 (2008) Article DOI: 10.1038/nchembio.90 BindingDB Entry DOI: 10.7270/Q2DV1KVK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279099 ((Z)-2-(Benzylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-...) Show SMILES O=C1NC(NCc2ccccc2)=NC1=Cc1c[nH]c2ncccc12 |w:14.16,c:12| Show InChI InChI=1S/C18H15N5O/c24-17-15(9-13-11-20-16-14(13)7-4-8-19-16)22-18(23-17)21-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,20)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279214 ((Z)-2-((S)-1-Phenyl-ethylamino)-5-[1-(1H-pyrrolo[2...) Show SMILES C[C@H](NC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1)c1ccccc1 |r,w:6.6,t:3| Show InChI InChI=1S/C19H17N5O/c1-12(13-6-3-2-4-7-13)22-19-23-16(18(25)24-19)10-14-11-21-17-15(14)8-5-9-20-17/h2-12H,1H3,(H,20,21)(H2,22,23,24,25)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279249 ((Z)-2-(Cyclohexylamino)-5-(1H-pyrrolo[2,3-b]pyridi...) Show SMILES O=C1NC(NC2CCCCC2)=NC1=Cc1c[nH]c2ncccc12 |w:13.15,c:11| Show InChI InChI=1S/C17H19N5O/c23-16-14(9-11-10-19-15-13(11)7-4-8-18-15)21-17(22-16)20-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6H2,(H,18,19)(H2,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279281 ((Z)-5-(1H-Pyrrolo[2,3-b]pyridin-3-ylmethylene)-2-[...) Show SMILES O=C1NC(NCC2CCCO2)=NC1=Cc1c[nH]c2ncccc12 |w:13.15,c:11| Show InChI InChI=1S/C16H17N5O2/c22-15-13(7-10-8-18-14-12(10)4-1-5-17-14)20-16(21-15)19-9-11-3-2-6-23-11/h1,4-5,7-8,11H,2-3,6,9H2,(H,17,18)(H2,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279335 (CHEMBL484988 | Z)-2-[(3,3-Dimethylbutyl)amino]-5-(...) Show SMILES CC(C)(C)CCNC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.10,t:7| Show InChI InChI=1S/C17H21N5O/c1-17(2,3)6-8-19-16-21-13(15(23)22-16)9-11-10-20-14-12(11)5-4-7-18-14/h4-5,7,9-10H,6,8H2,1-3H3,(H,18,20)(H2,19,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279144 ((Z)-2-Piperidin-1-yl-5-(1H-pyrrolo[2,3-b]pyridin-3...) Show SMILES O=C1NC(=NC1=Cc1c[nH]c2ncccc12)N1CCCCC1 |w:6.7,c:3| Show InChI InChI=1S/C16H17N5O/c22-15-13(19-16(20-15)21-7-2-1-3-8-21)9-11-10-18-14-12(11)5-4-6-17-14/h4-6,9-10H,1-3,7-8H2,(H,17,18)(H,19,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279372 ((Z)-2-((S)-1-Phenyl-ethylamino)-5-[1-(1H-pyrrolo[2...) Show SMILES C[C@H](NC1=NC(=O)C(S1)=Cc1c[nH]c2ncccc12)c1ccccc1 |r,w:9.10,t:3| Show InChI InChI=1S/C19H16N4OS/c1-12(13-6-3-2-4-7-13)22-19-23-18(24)16(25-19)10-14-11-21-17-15(14)8-5-9-20-17/h2-12H,1H3,(H,20,21)(H,22,23,24)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					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)
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279143 ((Z)-2-(3-Methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin...) Show SMILES Cc1cccc(c1)C1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.11,t:8| Show InChI InChI=1S/C18H14N4O/c1-11-4-2-5-12(8-11)16-21-15(18(23)22-16)9-13-10-20-17-14(13)6-3-7-19-17/h2-10H,1H3,(H,19,20)(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM5655 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Oncology Curated by ChEMBL					Assay Description Inhibition of cdk1				Nat Chem Biol 4: 357-65 (2008) Article DOI: 10.1038/nchembio.90 BindingDB Entry DOI: 10.7270/Q2DV1KVK
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279250 ((Z)-2-(Cyclopropylamino)-5-(1H-pyrrolo[2,3-b]pyrid...) Show SMILES O=C1NC(NC2CC2)=NC1=Cc1c[nH]c2ncccc12 |w:10.12,c:8| Show InChI InChI=1S/C14H13N5O/c20-13-11(18-14(19-13)17-9-3-4-9)6-8-7-16-12-10(8)2-1-5-15-12/h1-2,5-7,9H,3-4H2,(H,15,16)(H2,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Oncology Curated by ChEMBL					Assay Description Inhibition of cdk9				Nat Chem Biol 4: 357-65 (2008) Article DOI: 10.1038/nchembio.90 BindingDB Entry DOI: 10.7270/Q2DV1KVK
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279286 ((Z)-2-(Pentylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-...) Show SMILES CCCCCNC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:9.9,t:6| Show InChI InChI=1S/C16H19N5O/c1-2-3-4-7-18-16-20-13(15(22)21-16)9-11-10-19-14-12(11)6-5-8-17-14/h5-6,8-10H,2-4,7H2,1H3,(H,17,19)(H2,18,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279336 ((Z)-2-[(2-Hydroxyethyl)amino]-5-(1H-pyrrolo[2,3-b]...) Show SMILES OCCNC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:7.7,t:4| Show InChI InChI=1S/C13H13N5O2/c19-5-4-15-13-17-10(12(20)18-13)6-8-7-16-11-9(8)2-1-3-14-11/h1-3,6-7,19H,4-5H2,(H,14,16)(H2,15,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279184 ((Z)-2-[(3-Chlorobenzyl)amino]-5-(1H-pyrrolo[2,3-b]...) Show SMILES Clc1cccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)c1 |w:11.11,t:8| Show InChI InChI=1S/C18H14ClN5O/c19-13-4-1-3-11(7-13)9-22-18-23-15(17(25)24-18)8-12-10-21-16-14(12)5-2-6-20-16/h1-8,10H,9H2,(H,20,21)(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5655 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Oncology Curated by ChEMBL					Assay Description Inhibition of cdk2				Nat Chem Biol 4: 357-65 (2008) Article DOI: 10.1038/nchembio.90 BindingDB Entry DOI: 10.7270/Q2DV1KVK
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279284 ((Z)-2-(Ethylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-y...) Show SMILES CCNC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:6.6,t:3| Show InChI InChI=1S/C13H13N5O/c1-2-14-13-17-10(12(19)18-13)6-8-7-16-11-9(8)4-3-5-15-11/h3-7H,2H2,1H3,(H,15,16)(H2,14,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279142 ((Z)-2-(4-Methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin...) Show SMILES Cc1ccc(cc1)C1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.11,t:8| Show InChI InChI=1S/C18H14N4O/c1-11-4-6-12(7-5-11)16-21-15(18(23)22-16)9-13-10-20-17-14(13)3-2-8-19-17/h2-10H,1H3,(H,19,20)(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279179 ((Z)-2-Morpholin-4-yl-5-[1-(1H-pyrrolo[2,3-b]pyridi...) Show SMILES O=C1NC(=NC1=Cc1c[nH]c2ncccc12)N1CCOCC1 |w:6.7,c:3| Show InChI InChI=1S/C15H15N5O2/c21-14-12(18-15(19-14)20-4-6-22-7-5-20)8-10-9-17-13-11(10)2-1-3-16-13/h1-3,8-9H,4-7H2,(H,16,17)(H,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279182 ((Z)-2-[(3-Methylbenzyl)amino]-5-(1H-pyrrolo[2,3-b]...) Show SMILES Cc1cccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)c1 |w:11.11,t:8| Show InChI InChI=1S/C19H17N5O/c1-12-4-2-5-13(8-12)10-22-19-23-16(18(25)24-19)9-14-11-21-17-15(14)6-3-7-20-17/h2-9,11H,10H2,1H3,(H,20,21)(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					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)
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279060 ((Z)-2-phenyl-5-(1Hpyrrolo[2,3-b]pyridin-3-ylmethyl...) Show SMILES O=C1NC(=NC1=Cc1c[nH]c2ncccc12)c1ccccc1 |w:6.7,c:3| Show InChI InChI=1S/C17H12N4O/c22-17-14(20-15(21-17)11-5-2-1-3-6-11)9-12-10-19-16-13(12)7-4-8-18-16/h1-10H,(H,18,19)(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279212 ((Z)-2-[(3-Bromobenzyl)amino]-5-(1H-pyrrolo[2,3-b]p...) Show SMILES Brc1cccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)c1 |w:11.11,t:8| Show InChI InChI=1S/C18H14BrN5O/c19-13-4-1-3-11(7-13)9-22-18-23-15(17(25)24-18)8-12-10-21-16-14(12)5-2-6-20-16/h1-8,10H,9H2,(H,20,21)(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279141 ((Z)-2-Pyridin-3-yl-5-(1H-pyrrolo[2,3-b]pyridin-3-y...) Show SMILES O=C1NC(=NC1=Cc1c[nH]c2ncccc12)c1cccnc1 |w:6.7,c:3| Show InChI InChI=1S/C16H11N5O/c22-16-13(20-14(21-16)10-3-1-5-17-8-10)7-11-9-19-15-12(11)4-2-6-18-15/h1-9H,(H,18,19)(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279282 ((Z)-2-[(cyclohexylmethyl)amino]-5-(1H-pyrrolo[2,3-...) Show SMILES O=C1NC(NCC2CCCCC2)=NC1=Cc1c[nH]c2ncccc12 |w:14.16,c:12| Show InChI InChI=1S/C18H21N5O/c24-17-15(9-13-11-20-16-14(13)7-4-8-19-16)22-18(23-17)21-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H,19,20)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279181 ((Z)-2-(2-Methyl-morpholin-4-yl)-5-[1-(1H-pyrrolo[2...) Show SMILES CC1CN(CCO1)C1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.11,t:8| Show InChI InChI=1S/C16H17N5O2/c1-10-9-21(5-6-23-10)16-19-13(15(22)20-16)7-11-8-18-14-12(11)3-2-4-17-14/h2-4,7-8,10H,5-6,9H2,1H3,(H,17,18)(H,19,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279211 ((Z)-2-[(4-Chlorobenzyl)amino]-5-(1H-pyrrolo[2,3-b]...) Show SMILES Clc1ccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H14ClN5O/c19-13-5-3-11(4-6-13)9-22-18-23-15(17(25)24-18)8-12-10-21-16-14(12)2-1-7-20-16/h1-8,10H,9H2,(H,20,21)(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	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
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50279099 ((Z)-2-(Benzylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-...) Show SMILES O=C1NC(NCc2ccccc2)=NC1=Cc1c[nH]c2ncccc12 |w:14.16,c:12| Show InChI InChI=1S/C18H15N5O/c24-17-15(9-13-11-20-16-14(13)7-4-8-19-16)22-18(23-17)21-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,20)(H2,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdk9/cyclinT (unknown origin)				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM138325 (US8877944, 29) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc5[nH]ccc5c4)CC3)C(=O)c12 Show InChI InChI=1S/C23H24N4O2/c24-22(28)19-3-1-2-17-14-27(23(29)21(17)19)18-7-10-26(11-8-18)13-15-4-5-20-16(12-15)6-9-25-20/h1-6,9,12,18,25H,7-8,10-11,13-14H2,(H2,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279180 ((Z)-2-(4-Methyl-piperidin-1-yl)-5-[1-(1H-pyrrolo[2...) Show SMILES CC1CCN(CC1)C1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.11,t:8| Show InChI InChI=1S/C17H19N5O/c1-11-4-7-22(8-5-11)17-20-14(16(23)21-17)9-12-10-19-15-13(12)3-2-6-18-15/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,18,19)(H,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM138327 (US8877944, 31) Show SMILES Cc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1 Show InChI InChI=1S/C22H25N3O2/c1-15-5-7-16(8-6-15)13-24-11-9-18(10-12-24)25-14-17-3-2-4-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	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
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279102 ((Z)-N-(3-{[2-(Benzylamino)-5-oxo-1,5-dihydro-4H-im...) Show SMILES CC(=O)Nc1cnc2[nH]cc(C=C3N=C(NCc4ccccc4)NC3=O)c2c1 |w:11.10,t:13| Show InChI InChI=1S/C20H18N6O2/c1-12(27)24-15-8-16-14(10-21-18(16)22-11-15)7-17-19(28)26-20(25-17)23-9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,21,22)(H,24,27)(H2,23,25,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279213 ((Z)-2-[(4-Bromobenzyl)amino]-5-(1H-pyrrolo[2,3-b]p...) Show SMILES Brc1ccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H14BrN5O/c19-13-5-3-11(4-6-13)9-22-18-23-15(17(25)24-18)8-12-10-21-16-14(12)2-1-7-20-16/h1-8,10H,9H2,(H,20,21)(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279283 ((Z)-2-(Adamantylmethylamino)-5-(1H-pyrrolo[2,3-b]p...) Show SMILES O=C1NC(NCC23CC4CC(CC(C4)C2)C3)=NC1=Cc1c[nH]c2ncccc12 |w:18.22,c:18,TLB:9:10:8.13.7:14,THB:9:8:10.11.15:14,11:10:7:13.12.14,11:12:9.10.15:7| Show InChI InChI=1S/C22H25N5O/c28-20-18(7-16-11-24-19-17(16)2-1-3-23-19)26-21(27-20)25-12-22-8-13-4-14(9-22)6-15(5-13)10-22/h1-3,7,11,13-15H,4-6,8-10,12H2,(H,23,24)(H2,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50279100 ((Z)-2-(Benzylamino)-5-[(5-nitro-1H-pyrrolo[2,3-b]p...) Show SMILES [O-][N+](=O)c1cnc2[nH]cc(C=C3N=C(NCc4ccccc4)NC3=O)c2c1 |w:10.9,t:12| Show InChI InChI=1S/C18H14N6O3/c25-17-15(22-18(23-17)21-8-11-4-2-1-3-5-11)6-12-9-19-16-14(12)7-13(10-20-16)24(26)27/h1-7,9-10H,8H2,(H,19,20)(H2,21,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Cdc7 (unknown origin)-mediated phosphorylation of Mcm2				J Med Chem 52: 4380-90 (2009) Article DOI: 10.1021/jm900248g BindingDB Entry DOI: 10.7270/Q2FF3S8C
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM138298 (US8877944, 7) Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12 Show InChI InChI=1S/C20H25F2N3O2/c21-20(22)8-4-14(5-9-20)24-10-6-15(7-11-24)25-12-13-2-1-3-16(18(23)26)17(13)19(25)27/h1-3,14-15H,4-12H2,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	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

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