Compile Data Set for Download or QSAR

Found 468 hits with Last Name = 'amici' and Initial = 'r'   

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
Histone deacetylase (Homo sapiens (Human))	BDBM50141381 (CHEMBL3758184) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCCN(CCc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C24H26N2O4/c27-21-16-24(12-4-13-26(17-24)14-11-18-5-2-1-3-6-18)30-22-9-7-19(15-20(21)22)8-10-23(28)25-29/h1-3,5-10,15,29H,4,11-14,16-17H2,(H,25,28)/b10-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					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))	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
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7163 (3-Phenylacetamidoaminopyrazole deriv. 40 | CS10 | ...) Show SMILES O=C(Cc1ccc(cc1)-c1cccs1)Nc1cc(n[nH]1)C1CC1 Show InChI InChI=1S/C18H17N3OS/c22-18(19-17-11-15(20-21-17)13-7-8-13)10-12-3-5-14(6-4-12)16-2-1-9-23-16/h1-6,9,11,13H,7-8,10H2,(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Italia					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 47: 3367-80 (2004) Article DOI: 10.1021/jm031145u BindingDB Entry DOI: 10.7270/Q2RX998G
					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
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7162 (3-Phenylacetamidoaminopyrazole deriv. 39 | 4 -{2-[...) Show SMILES NC(=O)c1ccc(cc1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1 Show InChI InChI=1S/C21H20N4O2/c22-21(27)17-9-5-15(6-10-17)14-3-1-13(2-4-14)11-20(26)23-19-12-18(24-25-19)16-7-8-16/h1-6,9-10,12,16H,7-8,11H2,(H2,22,27)(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Pharmacia Italia					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 47: 3367-80 (2004) Article DOI: 10.1021/jm031145u BindingDB Entry DOI: 10.7270/Q2RX998G
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7159 (3-Phenylacetamidoaminopyrazole deriv. 36 | N-(5-Cy...) Show SMILES Fc1cccc(c1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1 Show InChI InChI=1S/C20H18FN3O/c21-17-3-1-2-16(11-17)14-6-4-13(5-7-14)10-20(25)22-19-12-18(23-24-19)15-8-9-15/h1-7,11-12,15H,8-10H2,(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Pharmacia Italia					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 47: 3367-80 (2004) Article DOI: 10.1021/jm031145u BindingDB Entry DOI: 10.7270/Q2RX998G
					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))	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
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50378657 (CHEMBL1230607) Show SMILES CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C Show InChI InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of CDK5/p25 by scintillation proximity assay				Bioorg Med Chem 18: 1844-53 (2010) Article DOI: 10.1016/j.bmc.2010.01.042 BindingDB Entry DOI: 10.7270/Q21R6RG5
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50027427 (CHEMBL1744453) Show SMILES CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccsc3)n[nH]c2C1(C)C Show InChI InChI=1S/C19H25N5O2S/c1-19(2)15-14(10-24(19)18(26)12-4-7-23(3)8-5-12)16(22-21-15)20-17(25)13-6-9-27-11-13/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H2,20,21,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay				Bioorg Med Chem 18: 1844-53 (2010) Article DOI: 10.1016/j.bmc.2010.01.042 BindingDB Entry DOI: 10.7270/Q21R6RG5
					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))	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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50378657 (CHEMBL1230607) Show SMILES CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C Show InChI InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E by scintillation proximity assay				Bioorg Med Chem 18: 1844-53 (2010) Article DOI: 10.1016/j.bmc.2010.01.042 BindingDB Entry DOI: 10.7270/Q21R6RG5
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50378657 (CHEMBL1230607) Show SMILES CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C Show InChI InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay				Bioorg Med Chem 18: 1844-53 (2010) Article DOI: 10.1016/j.bmc.2010.01.042 BindingDB Entry DOI: 10.7270/Q21R6RG5
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50027423 (CHEMBL1744456) Show SMILES CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)C3CCC3)n[nH]c2C1(C)C Show InChI InChI=1S/C19H29N5O2/c1-19(2)15-14(16(22-21-15)20-17(25)12-5-4-6-12)11-24(19)18(26)13-7-9-23(3)10-8-13/h12-13H,4-11H2,1-3H3,(H2,20,21,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia 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 Srl Curated by ChEMBL					Assay Description Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay				Bioorg Med Chem 18: 1844-53 (2010) Article DOI: 10.1016/j.bmc.2010.01.042 BindingDB Entry DOI: 10.7270/Q21R6RG5
					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
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7160 (3-Phenylacetamidoaminopyrazole deriv. 37 | N-(5-Cy...) Show SMILES Cc1cccc(c1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1 Show InChI InChI=1S/C21H21N3O/c1-14-3-2-4-18(11-14)16-7-5-15(6-8-16)12-21(25)22-20-13-19(23-24-20)17-9-10-17/h2-8,11,13,17H,9-10,12H2,1H3,(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
Pharmacia Italia					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 47: 3367-80 (2004) Article DOI: 10.1021/jm031145u BindingDB Entry DOI: 10.7270/Q2RX998G
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50027430 (CHEMBL1744452) Show SMILES CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3cccs3)n[nH]c2C1(C)C Show InChI InChI=1S/C19H25N5O2S/c1-19(2)15-13(11-24(19)18(26)12-6-8-23(3)9-7-12)16(22-21-15)20-17(25)14-5-4-10-27-14/h4-5,10,12H,6-9,11H2,1-3H3,(H2,20,21,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia 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 Srl Curated by ChEMBL					Assay Description Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay				Bioorg Med Chem 18: 1844-53 (2010) Article DOI: 10.1016/j.bmc.2010.01.042 BindingDB Entry DOI: 10.7270/Q21R6RG5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50123468 (CHEMBL32865 | [3-Benzyl-5-(1,1-dioxo-1lambda 6 -is...) Show SMILES Oc1c(ncc2cccnc12)C(=O)c1cc(CN2CCCS2(=O)=O)cc(Cc2ccccc2)c1 Show InChI InChI=1S/C26H23N3O4S/c30-25(24-26(31)23-21(16-28-24)8-4-9-27-23)22-14-19(12-18-6-2-1-3-7-18)13-20(15-22)17-29-10-5-11-34(29,32)33/h1-4,6-9,13-16,31H,5,10-12,17H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50027392 (CHEMBL596978) Show SMILES CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)Nc3cccc(F)c3)n[nH]c2C1(C)C Show InChI InChI=1S/C21H27FN6O2/c1-21(2)17-16(12-28(21)19(29)13-7-9-27(3)10-8-13)18(26-25-17)24-20(30)23-15-6-4-5-14(22)11-15/h4-6,11,13H,7-10,12H2,1-3H3,(H3,23,24,25,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay				Bioorg Med Chem 18: 1844-53 (2010) Article DOI: 10.1016/j.bmc.2010.01.042 BindingDB Entry DOI: 10.7270/Q21R6RG5
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50378657 (CHEMBL1230607) Show SMILES CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C Show InChI InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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 Srl Curated by ChEMBL					Assay Description Inhibition of CDK7/cyclin H by scintillation proximity assay				Bioorg Med Chem 18: 1844-53 (2010) Article DOI: 10.1016/j.bmc.2010.01.042 BindingDB Entry DOI: 10.7270/Q21R6RG5
					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 51: 487-501 (2008) Article DOI: 10.1021/jm700956r BindingDB Entry DOI: 10.7270/Q247485B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50027396 (CHEMBL603243) Show SMILES CCCNC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C Show InChI InChI=1S/C18H30N6O2/c1-5-8-19-17(26)20-15-13-11-24(18(2,3)14(13)21-22-15)16(25)12-6-9-23(4)10-7-12/h12H,5-11H2,1-4H3,(H3,19,20,21,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay				Bioorg Med Chem 18: 1844-53 (2010) Article DOI: 10.1016/j.bmc.2010.01.042 BindingDB Entry DOI: 10.7270/Q21R6RG5
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7161 (3-Phenylacetamidoaminopyrazole deriv. 38 | 4 -{2-[...) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1 Show InChI InChI=1S/C21H19N3O3/c25-20(22-19-12-18(23-24-19)16-7-8-16)11-13-1-3-14(4-2-13)15-5-9-17(10-6-15)21(26)27/h1-6,9-10,12,16H,7-8,11H2,(H,26,27)(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Italia					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 47: 3367-80 (2004) Article DOI: 10.1021/jm031145u BindingDB Entry DOI: 10.7270/Q2RX998G
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481203 (CHEMBL569327) Show SMILES CN1CCN(Cc2ccccc2C(=O)\C=C\c2ccc(\C=C\C(=O)NO)nc2)CC1 Show InChI InChI=1S/C23H26N4O3/c1-26-12-14-27(15-13-26)17-19-4-2-3-5-21(19)22(28)10-7-18-6-8-20(24-16-18)9-11-23(29)25-30/h2-11,16,30H,12-15,17H2,1H3,(H,25,29)/b10-7+,11-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184349 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG 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
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of MnCl2				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27407 (2-(2-aminopyrimidin-4-yl)-1-propyl-1H,4H,5H,6H,7H-...) Show SMILES CCCn1c2CCNC(=O)c2cc1-c1ccnc(N)n1 Show InChI InChI=1S/C14H17N5O/c1-2-7-19-11-4-6-16-13(20)9(11)8-12(19)10-3-5-17-14(15)18-10/h3,5,8H,2,4,6-7H2,1H3,(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	12	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))	BDBM27411 (2-(2-aminopyrimidin-4-yl)-1-(2-methylpropyl)-1H,4H...) Show SMILES CC(C)Cn1c2CCNC(=O)c2cc1-c1ccnc(N)n1 Show InChI InChI=1S/C15H19N5O/c1-9(2)8-20-12-4-6-17-14(21)10(12)7-13(20)11-3-5-18-15(16)19-11/h3,5,7,9H,4,6,8H2,1-2H3,(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	13	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
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7121 (3-Aminopyrazole deriv. 36 | N-(5-Cyclopropyl-1H-py...) Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCS1(=O)=O Show InChI InChI=1S/C18H22N4O3S/c1-12(18(23)19-17-11-16(20-21-17)14-3-4-14)13-5-7-15(8-6-13)22-9-2-10-26(22,24)25/h5-8,11-12,14H,2-4,9-10H2,1H3,(H2,19,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	22
Pharmacia Italia					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 47: 3367-80 (2004) Article DOI: 10.1021/jm031145u BindingDB Entry DOI: 10.7270/Q2RX998G
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase [58-574]/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM27384 (2-{1H-pyrrolo[2,3-b]pyridin-4-yl}-1H,4H,5H,6H,7H-p...) Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C14H12N4O/c19-14-10-7-12(18-11(10)3-6-17-14)8-1-4-15-13-9(8)2-5-16-13/h1-2,4-5,7,18H,3,6H2,(H,15,16)(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	14	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))	BDBM27409 (2-(2-aminopyrimidin-4-yl)-1-cyclobutyl-1H,4H,5H,6H...) Show SMILES Nc1nccc(n1)-c1cc2c(CCNC2=O)n1C1CCC1 Show InChI InChI=1S/C15H17N5O/c16-15-18-6-4-11(19-15)13-8-10-12(5-7-17-14(10)21)20(13)9-2-1-3-9/h4,6,8-9H,1-3,5,7H2,(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	14	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
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50027421 (CHEMBL1744457) Show SMILES CCN1CCC(CC1)C(=O)N1Cc2c(NC(=O)CC(C)C)n[nH]c2C1(C)C Show InChI InChI=1S/C20H33N5O2/c1-6-24-9-7-14(8-10-24)19(27)25-12-15-17(20(25,4)5)22-23-18(15)21-16(26)11-13(2)3/h13-14H,6-12H2,1-5H3,(H2,21,22,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay				Bioorg Med Chem 18: 1844-53 (2010) Article DOI: 10.1016/j.bmc.2010.01.042 BindingDB Entry DOI: 10.7270/Q21R6RG5
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50027404 (CHEMBL603478) Show SMILES CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccc(F)c(F)c3)n[nH]c2C1(C)C Show InChI InChI=1S/C21H25F2N5O2/c1-21(2)17-14(11-28(21)20(30)12-6-8-27(3)9-7-12)18(26-25-17)24-19(29)13-4-5-15(22)16(23)10-13/h4-5,10,12H,6-9,11H2,1-3H3,(H2,24,25,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay				Bioorg Med Chem 18: 1844-53 (2010) Article DOI: 10.1016/j.bmc.2010.01.042 BindingDB Entry DOI: 10.7270/Q21R6RG5
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50027416 (CHEMBL599249) Show SMILES CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3cccc(F)c3)n[nH]c2C1(C)C Show InChI InChI=1S/C21H26FN5O2/c1-21(2)17-16(12-27(21)20(29)13-7-9-26(3)10-8-13)18(25-24-17)23-19(28)14-5-4-6-15(22)11-14/h4-6,11,13H,7-10,12H2,1-3H3,(H2,23,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay				Bioorg Med Chem 18: 1844-53 (2010) Article DOI: 10.1016/j.bmc.2010.01.042 BindingDB Entry DOI: 10.7270/Q21R6RG5
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481193 (CHEMBL569731) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)\C=C\c1cccc(\C=C\C(=O)NO)n1 Show InChI InChI=1S/C22H24N4O3/c1-25-13-15-26(16-14-25)20-9-5-17(6-10-20)21(27)11-7-18-3-2-4-19(23-18)8-12-22(28)24-29/h2-12,29H,13-16H2,1H3,(H,24,28)/b11-7+,12-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50027413 (CHEMBL598221) Show SMILES CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccc(Cl)cc3)n[nH]c2C1(C)C Show InChI InChI=1S/C21H26ClN5O2/c1-21(2)17-16(12-27(21)20(29)14-8-10-26(3)11-9-14)18(25-24-17)23-19(28)13-4-6-15(22)7-5-13/h4-7,14H,8-12H2,1-3H3,(H2,23,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia 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 Srl Curated by ChEMBL					Assay Description Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay				Bioorg Med Chem 18: 1844-53 (2010) Article DOI: 10.1016/j.bmc.2010.01.042 BindingDB Entry DOI: 10.7270/Q21R6RG5
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50027424 (CHEMBL1744455) Show SMILES CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)C3CC3)n[nH]c2C1(C)C Show InChI InChI=1S/C18H27N5O2/c1-18(2)14-13(15(21-20-14)19-16(24)11-4-5-11)10-23(18)17(25)12-6-8-22(3)9-7-12/h11-12H,4-10H2,1-3H3,(H2,19,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia 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 Srl Curated by ChEMBL					Assay Description Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay				Bioorg Med Chem 18: 1844-53 (2010) Article DOI: 10.1016/j.bmc.2010.01.042 BindingDB Entry DOI: 10.7270/Q21R6RG5
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50027411 (CHEMBL1744450) Show SMILES OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17+,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia 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 Srl Curated by ChEMBL					Assay Description Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay				Bioorg Med Chem 18: 1844-53 (2010) Article DOI: 10.1016/j.bmc.2010.01.042 BindingDB Entry DOI: 10.7270/Q21R6RG5
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50027403 (CHEMBL603887) Show SMILES CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)n[nH]c2C1(C)C Show InChI InChI=1S/C21H25F2N5O2/c1-21(2)17-16(11-28(21)20(30)12-4-6-27(3)7-5-12)18(26-25-17)24-19(29)13-8-14(22)10-15(23)9-13/h8-10,12H,4-7,11H2,1-3H3,(H2,24,25,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia 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 Srl Curated by ChEMBL					Assay Description Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay				Bioorg Med Chem 18: 1844-53 (2010) Article DOI: 10.1016/j.bmc.2010.01.042 BindingDB Entry DOI: 10.7270/Q21R6RG5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184349 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG 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
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of MgCl2 by plate-based electrochemiluminescent assay				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479082 (CHEMBL497501) Show SMILES OC(=O)C(\O)=C\C(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-9,11,29-30H,10H2,(H,32,33)(H,34,35)/b20-8-,21-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481189 (CHEMBL569546) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)\C=C\c2cccc(\C=C\C(=O)NO)c2)CC1 Show InChI InChI=1S/C24H27N3O3/c1-26-13-15-27(16-14-26)18-21-5-9-22(10-6-21)23(28)11-7-19-3-2-4-20(17-19)8-12-24(29)25-30/h2-12,17,30H,13-16,18H2,1H3,(H,25,29)/b11-7+,12-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184349 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of MgCl2 by gel-based assay				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479082 (CHEMBL497501) Show SMILES OC(=O)C(\O)=C\C(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-9,11,29-30H,10H2,(H,32,33)(H,34,35)/b20-8-,21-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479098 (CHEMBL498698) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2c(F)cccc2c1=O Show InChI InChI=1S/C20H13F2NO5/c21-12-6-4-11(5-7-12)9-23-10-14(16(24)8-17(25)20(27)28)19(26)13-2-1-3-15(22)18(13)23/h1-8,10,25H,9H2,(H,27,28)/b17-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479086 (CHEMBL497688) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)ccc2c1=O Show InChI InChI=1S/C20H13ClFNO5/c21-12-3-6-14-16(7-12)23(9-11-1-4-13(22)5-2-11)10-15(19(14)26)17(24)8-18(25)20(27)28/h1-8,10,25H,9H2,(H,27,28)/b18-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50080949 ((S)-2-[4-(3-Phenyl-propoxy)-benzylamino]-propionam...) Show SMILES C[C@H](NCc1ccc(OCCCc2ccccc2)cc1)C(N)=O Show InChI InChI=1S/C19H24N2O2/c1-15(19(20)22)21-14-17-9-11-18(12-10-17)23-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,21H,5,8,13-14H2,1H3,(H2,20,22)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia& Upjohn Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to Opioid receptor sigma 1				Bioorg Med Chem Lett 9: 2521-4 (1999) BindingDB Entry DOI: 10.7270/Q29887HT
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481188 (CHEMBL571993) Show SMILES CN1CCN(CC1)c1cccc(c1)C(=O)\C=C\c1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C23H25N3O3/c1-25-12-14-26(15-13-25)21-7-3-6-20(17-21)22(27)10-8-18-4-2-5-19(16-18)9-11-23(28)24-29/h2-11,16-17,29H,12-15H2,1H3,(H,24,28)/b10-8+,11-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair

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