Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'dermatakis' 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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10085 ((3Z)-4-[3-(hydroxymethyl)piperidin-1-yl]-3-[(3-met...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCCC(CO)C3)c12)N(=O)=O Show InChI InChI=1S/C20H22N4O5/c1-29-17-6-7-21-15(17)9-13-18-14(22-20(13)26)4-5-16(24(27)28)19(18)23-8-2-3-12(10-23)11-25/h4-7,9,12,21,25H,2-3,8,10-11H2,1H3,(H,22,26)/b13-9-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem 11: 1873-81 (2003) Article DOI: 10.1016/s0968-0896(03)00036-1 BindingDB Entry DOI: 10.7270/Q24M92SM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10112 ((3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methyli...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H]3CCCN3)c12 |r| Show InChI InChI=1S/C20H18FN3O2/c1-26-18-8-10-23-17(18)11-14-19-13(5-4-12-3-2-9-22-12)15(21)6-7-16(19)24-20(14)25/h6-8,10-12,22-23H,2-3,9H2,1H3,(H,24,25)/b14-11-/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10083 ((3Z)-4-(3-hydroxypiperidin-1-yl)-3-[(3-methoxy-1H-...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCCC(O)C3)c12)N(=O)=O Show InChI InChI=1S/C19H20N4O5/c1-28-16-6-7-20-14(16)9-12-17-13(21-19(12)25)4-5-15(23(26)27)18(17)22-8-2-3-11(24)10-22/h4-7,9,11,20,24H,2-3,8,10H2,1H3,(H,21,25)/b12-9-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem 11: 1873-81 (2003) Article DOI: 10.1016/s0968-0896(03)00036-1 BindingDB Entry DOI: 10.7270/Q24M92SM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10092 (C-4 substituted oxindole inhibitor 7p | N-[(3R)-1-...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@H](C3)NC=O)c12)N(=O)=O |r| Show InChI InChI=1S/C19H19N5O5/c1-29-16-4-6-20-14(16)8-12-17-13(22-19(12)26)2-3-15(24(27)28)18(17)23-7-5-11(9-23)21-10-25/h2-4,6,8,10-11,20H,5,7,9H2,1H3,(H,21,25)(H,22,26)/b12-8-/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem 11: 1873-81 (2003) Article DOI: 10.1016/s0968-0896(03)00036-1 BindingDB Entry DOI: 10.7270/Q24M92SM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10109 ((3Z)-4-[(3R,4S,5R)-4-amino-3,5-dihydroxyhex-1-yn-1...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](O)[C@@H](N)[C@@H](C)O)c12 |r| Show InChI InChI=1S/C20H20FN3O4/c1-10(25)19(22)16(26)6-3-11-13(21)4-5-14-18(11)12(20(27)24-14)9-15-17(28-2)7-8-23-15/h4-5,7-10,16,19,23,25-26H,22H2,1-2H3,(H,24,27)/b12-9-/t10-,16-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10099 ((3Z)-4-[(3S)-3-amino-4-hydroxybut-1-yn-1-yl]-5-flu...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@H](N)CO)c12 |r| Show InChI InChI=1S/C18H16FN3O3/c1-25-16-6-7-21-15(16)8-12-17-11(3-2-10(20)9-23)13(19)4-5-14(17)22-18(12)24/h4-8,10,21,23H,9,20H2,1H3,(H,22,24)/b12-8-/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10129 (7-[(2-aminoethyl)sulfanyl]-9-fluoro-5-(1H-pyrrol-2...) Show SMILES NCCSc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23 Show InChI InChI=1S/C17H14FN3OS/c18-10-3-4-12-16-14(17(22)21-12)9(11-2-1-6-20-11)8-13(15(10)16)23-7-5-19/h1-4,6,8,20H,5,7,19H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 13: 2465-8 (2003) Article DOI: 10.1016/s0960-894x(03)00488-8 BindingDB Entry DOI: 10.7270/Q2W37TJG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10091 ((-)-(R)-(Z)-4-(3-Amino-pyrrolidinyl)-3-(3-methoxy-...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@@H](N)C3)c12)N(=O)=O |r| Show InChI InChI=1S/C18H19N5O4/c1-27-15-4-6-20-13(15)8-11-16-12(21-18(11)24)2-3-14(23(25)26)17(16)22-7-5-10(19)9-22/h2-4,6,8,10,20H,5,7,9,19H2,1H3,(H,21,24)/b11-8-/t10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem 11: 1873-81 (2003) Article DOI: 10.1016/s0968-0896(03)00036-1 BindingDB Entry DOI: 10.7270/Q24M92SM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10081 ((-)-(R)-(Z)-4-(3-Hydroxy-pyrrolidinyl)-3-(3-methox...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@@H](O)C3)c12)N(=O)=O |r| Show InChI InChI=1S/C18H18N4O5/c1-27-15-4-6-19-13(15)8-11-16-12(20-18(11)24)2-3-14(22(25)26)17(16)21-7-5-10(23)9-21/h2-4,6,8,10,19,23H,5,7,9H2,1H3,(H,20,24)/b11-8-/t10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem 11: 1873-81 (2003) Article DOI: 10.1016/s0968-0896(03)00036-1 BindingDB Entry DOI: 10.7270/Q24M92SM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10098 ((3Z)-4-(4-amino-3-hydroxybut-1-yn-1-yl)-5-fluoro-3...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#CC(O)CN)c12 Show InChI InChI=1S/C18H16FN3O3/c1-25-16-6-7-21-15(16)8-12-17-11(3-2-10(23)9-20)13(19)4-5-14(17)22-18(12)24/h4-8,10,21,23H,9,20H2,1H3,(H,22,24)/b12-8-	PDB UniProtKB/SwissProt 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	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10084 ((3Z)-4-(4-hydroxypiperidin-1-yl)-3-[(3-methoxy-1H-...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCC(O)CC3)c12)N(=O)=O Show InChI InChI=1S/C19H20N4O5/c1-28-16-4-7-20-14(16)10-12-17-13(21-19(12)25)2-3-15(23(26)27)18(17)22-8-5-11(24)6-9-22/h2-4,7,10-11,20,24H,5-6,8-9H2,1H3,(H,21,25)/b12-10-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem 11: 1873-81 (2003) Article DOI: 10.1016/s0968-0896(03)00036-1 BindingDB Entry DOI: 10.7270/Q24M92SM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10100 ((3Z)-5-fluoro-4-[(3S)-4-hydroxy-3-(methylamino)but...) Show SMILES CN[C@H](CO)C#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F |r| Show InChI InChI=1S/C19H18FN3O3/c1-21-11(10-24)3-4-12-14(20)5-6-15-18(12)13(19(25)23-15)9-16-17(26-2)7-8-22-16/h5-9,11,21-22,24H,10H2,1-2H3,(H,23,25)/b13-9-/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10113 ((3Z)-5-fluoro-4-{2-[(2S,4R)-4-hydroxypyrrolidin-2-...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H]3C[C@@H](O)CN3)c12 |r| Show InChI InChI=1S/C20H18FN3O3/c1-27-18-6-7-22-17(18)9-14-19-13(3-2-11-8-12(25)10-23-11)15(21)4-5-16(19)24-20(14)26/h4-7,9,11-12,22-23,25H,8,10H2,1H3,(H,24,26)/b14-9-/t11-,12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10095 ((3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methyli...) Show SMILES CNCC#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F Show InChI InChI=1S/C18H16FN3O2/c1-20-8-3-4-11-13(19)5-6-14-17(11)12(18(23)22-14)10-15-16(24-2)7-9-21-15/h5-7,9-10,20-21H,8H2,1-2H3,(H,22,23)/b12-10-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10110 ((3Z)-5-fluoro-4-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#CC3(O)CCOCC3)c12 Show InChI InChI=1S/C21H19FN2O4/c1-27-18-5-9-23-17(18)12-14-19-13(4-6-21(26)7-10-28-11-8-21)15(22)2-3-16(19)24-20(14)25/h2-3,5,9,12,23,26H,7-8,10-11H2,1H3,(H,24,25)/b14-12-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10101 ((3Z)-4-[(3R)-3-amino-4-hydroxybut-1-yn-1-yl]-5-flu...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](N)CO)c12 |r| Show InChI InChI=1S/C18H16FN3O3/c1-25-16-6-7-21-15(16)8-12-17-11(3-2-10(20)9-23)13(19)4-5-14(17)22-18(12)24/h4-8,10,21,23H,9,20H2,1H3,(H,22,24)/b12-8-/t10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10082 ((+)-(S)-(Z)-4-(3-Hydroxy-pyrrolidinyl)-3-(3-methox...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@H](O)C3)c12)N(=O)=O |r| Show InChI InChI=1S/C18H18N4O5/c1-27-15-4-6-19-13(15)8-11-16-12(20-18(11)24)2-3-14(22(25)26)17(16)21-7-5-10(23)9-21/h2-4,6,8,10,19,23H,5,7,9H2,1H3,(H,20,24)/b11-8-/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem 11: 1873-81 (2003) Article DOI: 10.1016/s0968-0896(03)00036-1 BindingDB Entry DOI: 10.7270/Q24M92SM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10139 (3-[9-fluoro-3-oxo-5-(1H-pyrrol-2-yl)-2-azatricyclo...) Show SMILES Fc1ccc2NC(=O)c3c(cc(CCC#N)c1c23)-c1ccc[nH]1 Show InChI InChI=1S/C18H12FN3O/c19-12-5-6-14-17-15(12)10(3-1-7-20)9-11(13-4-2-8-21-13)16(17)18(23)22-14/h2,4-6,8-9,21H,1,3H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia 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
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 13: 2465-8 (2003) Article DOI: 10.1016/s0960-894x(03)00488-8 BindingDB Entry DOI: 10.7270/Q2W37TJG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10114 ((3Z)-5-fluoro-4-{2-[(2S,4S)-4-hydroxypyrrolidin-2-...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H]3C[C@H](O)CN3)c12 |r| Show InChI InChI=1S/C20H18FN3O3/c1-27-18-6-7-22-17(18)9-14-19-13(3-2-11-8-12(25)10-23-11)15(21)4-5-16(19)24-20(14)26/h4-7,9,11-12,22-23,25H,8,10H2,1H3,(H,24,26)/b14-9-/t11-,12+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10089 ((3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-n...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(NC3CCNCC3)c12)N(=O)=O Show InChI InChI=1S/C19H21N5O4/c1-28-16-6-9-21-14(16)10-12-17-13(23-19(12)25)2-3-15(24(26)27)18(17)22-11-4-7-20-8-5-11/h2-3,6,9-11,20-22H,4-5,7-8H2,1H3,(H,23,25)/b12-10-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem 11: 1873-81 (2003) Article DOI: 10.1016/s0968-0896(03)00036-1 BindingDB Entry DOI: 10.7270/Q24M92SM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10087 ((3Z)-4-{[(1S,3S)-3-hydroxycyclopentyl]amino}-3-[(3...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N[C@H]3CC[C@H](O)C3)c12)N(=O)=O |r| Show InChI InChI=1S/C19H20N4O5/c1-28-16-6-7-20-14(16)9-12-17-13(22-19(12)25)4-5-15(23(26)27)18(17)21-10-2-3-11(24)8-10/h4-7,9-11,20-21,24H,2-3,8H2,1H3,(H,22,25)/b12-9-/t10-,11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem 11: 1873-81 (2003) Article DOI: 10.1016/s0968-0896(03)00036-1 BindingDB Entry DOI: 10.7270/Q24M92SM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10131 (9-fluoro-5-(1H-pyrrol-2-yl)-7-[(3S)-pyrrolidin-3-y...) Show SMILES Fc1ccc2NC(=O)c3c(cc(S[C@H]4CCNC4)c1c23)-c1ccc[nH]1 |r| Show InChI InChI=1S/C19H16FN3OS/c20-12-3-4-14-18-16(19(24)23-14)11(13-2-1-6-22-13)8-15(17(12)18)25-10-5-7-21-9-10/h1-4,6,8,10,21-22H,5,7,9H2,(H,23,24)/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	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
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 13: 2465-8 (2003) Article DOI: 10.1016/s0960-894x(03)00488-8 BindingDB Entry DOI: 10.7270/Q2W37TJG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10088 ((3Z)-4-{[(1S,3S)-3-aminocyclopentyl]amino}-3-[(3-m...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N[C@H]3CC[C@H](N)C3)c12)N(=O)=O |r| Show InChI InChI=1S/C19H21N5O4/c1-28-16-6-7-21-14(16)9-12-17-13(23-19(12)25)4-5-15(24(26)27)18(17)22-11-3-2-10(20)8-11/h4-7,9-11,21-22H,2-3,8,20H2,1H3,(H,23,25)/b12-9-/t10-,11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem 11: 1873-81 (2003) Article DOI: 10.1016/s0968-0896(03)00036-1 BindingDB Entry DOI: 10.7270/Q24M92SM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10090 ((3Z)-4-(4-aminopiperidin-1-yl)-3-[(3-methoxy-1H-py...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCC(N)CC3)c12)N(=O)=O Show InChI InChI=1S/C19H21N5O4/c1-28-16-4-7-21-14(16)10-12-17-13(22-19(12)25)2-3-15(24(26)27)18(17)23-8-5-11(20)6-9-23/h2-4,7,10-11,21H,5-6,8-9,20H2,1H3,(H,22,25)/b12-10-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem 11: 1873-81 (2003) Article DOI: 10.1016/s0968-0896(03)00036-1 BindingDB Entry DOI: 10.7270/Q24M92SM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10080 ((+)-(S)-(Z)-1-[3-(3-Methoxy-1H-pyrrol-2-ylmethylen...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@@H](C3)C(N)=O)c12)N(=O)=O |r| Show InChI InChI=1S/C19H19N5O5/c1-29-15-4-6-21-13(15)8-11-16-12(22-19(11)26)2-3-14(24(27)28)17(16)23-7-5-10(9-23)18(20)25/h2-4,6,8,10,21H,5,7,9H2,1H3,(H2,20,25)(H,22,26)/b11-8-/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem 11: 1873-81 (2003) Article DOI: 10.1016/s0968-0896(03)00036-1 BindingDB Entry DOI: 10.7270/Q24M92SM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10111 ((3Z)-5-fluoro-4-[2-(4-hydroxypiperidin-4-yl)ethyny...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#CC3(O)CCNCC3)c12 Show InChI InChI=1S/C21H20FN3O3/c1-28-18-5-9-24-17(18)12-14-19-13(4-6-21(27)7-10-23-11-8-21)15(22)2-3-16(19)25-20(14)26/h2-3,5,9,12,23-24,27H,7-8,10-11H2,1H3,(H,25,26)/b14-12-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10086 ((3Z)-4-[(4-hydroxycyclohexyl)amino]-3-[(3-methoxy-...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N[C@H]3CC[C@H](O)CC3)c12)N(=O)=O |r,wU:18.18,wD:21.22,(-1.62,8.42,;-2.28,7.03,;-1.41,5.77,;.13,5.72,;.56,4.25,;-.71,3.38,;-1.93,4.31,;-3.43,3.99,;-3.91,2.53,;-3,1.28,;-1.46,1.28,;-3.91,.04,;-5.37,.51,;-6.71,-.26,;-8.04,.51,;-8.04,2.05,;-6.71,2.82,;-6.71,4.36,;-7.8,5.45,;-9.34,5.5,;-10.06,6.86,;-9.25,8.17,;-9.98,9.52,;-7.71,8.12,;-6.99,6.76,;-5.37,2.05,;-9.38,2.82,;-9.38,4.36,;-10.71,2.05,)| Show InChI InChI=1S/C20H22N4O5/c1-29-17-8-9-21-15(17)10-13-18-14(23-20(13)26)6-7-16(24(27)28)19(18)22-11-2-4-12(25)5-3-11/h6-12,21-22,25H,2-5H2,1H3,(H,23,26)/b13-10-/t11-,12-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem 11: 1873-81 (2003) Article DOI: 10.1016/s0968-0896(03)00036-1 BindingDB Entry DOI: 10.7270/Q24M92SM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10079 ((Z)-1-[3-(3-Methoxy-1H-pyrrol-2-ylmethylene)-5-nit...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCCC(C3)C(N)=O)c12)N(=O)=O Show InChI InChI=1S/C20H21N5O5/c1-30-16-6-7-22-14(16)9-12-17-13(23-20(12)27)4-5-15(25(28)29)18(17)24-8-2-3-11(10-24)19(21)26/h4-7,9,11,22H,2-3,8,10H2,1H3,(H2,21,26)(H,23,27)/b12-9-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem 11: 1873-81 (2003) Article DOI: 10.1016/s0968-0896(03)00036-1 BindingDB Entry DOI: 10.7270/Q24M92SM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10106 ((3Z)-5-fluoro-4-[(3R,4R)-4-hydroxy-3-(methylamino)...) Show SMILES CN[C@H](C#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F)[C@@H](C)O |r| Show InChI InChI=1S/C20H20FN3O3/c1-11(25)15(22-2)6-4-12-14(21)5-7-16-19(12)13(20(26)24-16)10-17-18(27-3)8-9-23-17/h5,7-11,15,22-23,25H,1-3H3,(H,24,26)/b13-10-/t11-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10140 (7-(3-aminopropyl)-9-fluoro-5-(1H-pyrrol-2-yl)-2-az...) Show SMILES NCCCc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23 Show InChI InChI=1S/C18H16FN3O/c19-12-5-6-14-17-15(12)10(3-1-7-20)9-11(13-4-2-8-21-13)16(17)18(23)22-14/h2,4-6,8-9,21H,1,3,7,20H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia 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
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 13: 2465-8 (2003) Article DOI: 10.1016/s0960-894x(03)00488-8 BindingDB Entry DOI: 10.7270/Q2W37TJG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10102 ((3Z)-5-fluoro-4-[(3R)-4-hydroxy-3-(methylamino)but...) Show SMILES CN[C@@H](CO)C#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F |r| Show InChI InChI=1S/C19H18FN3O3/c1-21-11(10-24)3-4-12-14(20)5-6-15-18(12)13(19(25)23-15)9-16-17(26-2)7-8-22-16/h5-9,11,21-22,24H,10H2,1-2H3,(H,23,25)/b13-9-/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10105 ((3Z)-4-[(3R,4R)-3-amino-4-hydroxypent-1-yn-1-yl]-5...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](N)[C@@H](C)O)c12 |r| Show InChI InChI=1S/C19H18FN3O3/c1-10(24)14(21)5-3-11-13(20)4-6-15-18(11)12(19(25)23-15)9-16-17(26-2)7-8-22-16/h4,6-10,14,22,24H,21H2,1-2H3,(H,23,25)/b12-9-/t10-,14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10122 (7-[(2-aminoethyl)amino]-9-fluoro-5-(1H-pyrrol-2-yl...) Show SMILES NCCNc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23 Show InChI InChI=1S/C17H15FN4O/c18-10-3-4-12-16-14(17(23)22-12)9(11-2-1-6-20-11)8-13(15(10)16)21-7-5-19/h1-4,6,8,20-21H,5,7,19H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 13: 2465-8 (2003) Article DOI: 10.1016/s0960-894x(03)00488-8 BindingDB Entry DOI: 10.7270/Q2W37TJG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10118 (7-(2-aminoethoxy)-9-fluoro-5-(1H-pyrrol-2-yl)-2-az...) Show SMILES NCCOc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23 Show InChI InChI=1S/C17H14FN3O2/c18-10-3-4-12-16-14(17(22)21-12)9(11-2-1-6-20-11)8-13(15(10)16)23-7-5-19/h1-4,6,8,20H,5,7,19H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 13: 2465-8 (2003) Article DOI: 10.1016/s0960-894x(03)00488-8 BindingDB Entry DOI: 10.7270/Q2W37TJG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10128 (9-fluoro-7-[(2-hydroxyethyl)sulfanyl]-5-(1H-pyrrol...) Show SMILES OCCSc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23 Show InChI InChI=1S/C17H13FN2O2S/c18-10-3-4-12-16-14(17(22)20-12)9(11-2-1-5-19-11)8-13(15(10)16)23-7-6-21/h1-5,8,19,21H,6-7H2,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 13: 2465-8 (2003) Article DOI: 10.1016/s0960-894x(03)00488-8 BindingDB Entry DOI: 10.7270/Q2W37TJG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10133 (9-fluoro-7-[(2-hydroxyethane)sulfonyl]-5-(1H-pyrro...) Show SMILES OCCS(=O)(=O)c1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23 Show InChI InChI=1S/C17H13FN2O4S/c18-10-3-4-12-16-14(17(22)20-12)9(11-2-1-5-19-11)8-13(15(10)16)25(23,24)7-6-21/h1-5,8,19,21H,6-7H2,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 13: 2465-8 (2003) Article DOI: 10.1016/s0960-894x(03)00488-8 BindingDB Entry DOI: 10.7270/Q2W37TJG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10130 (9-fluoro-5-(1H-pyrrol-2-yl)-7-[(2R)-pyrrolidin-2-y...) Show SMILES Fc1ccc2NC(=O)c3c(cc(S[C@@H]4CCCN4)c1c23)-c1ccc[nH]1 |r| Show InChI InChI=1S/C19H16FN3OS/c20-11-5-6-13-18-16(19(24)23-13)10(12-3-1-7-21-12)9-14(17(11)18)25-15-4-2-8-22-15/h1,3,5-7,9,15,21-22H,2,4,8H2,(H,23,24)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	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
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 13: 2465-8 (2003) Article DOI: 10.1016/s0960-894x(03)00488-8 BindingDB Entry DOI: 10.7270/Q2W37TJG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10107 ((3Z)-4-[(3R,4R)-3-(ethylamino)-4-hydroxypent-1-yn-...) Show SMILES CCN[C@H](C#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F)[C@@H](C)O |r| Show InChI InChI=1S/C21H22FN3O3/c1-4-23-16(12(2)26)7-5-13-15(22)6-8-17-20(13)14(21(27)25-17)11-18-19(28-3)9-10-24-18/h6,8-12,16,23-24,26H,4H2,1-3H3,(H,25,27)/b14-11-/t12-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10119 (9-fluoro-7-(3-hydroxypropoxy)-5-(1H-pyrrol-2-yl)-2...) Show SMILES OCCCOc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23 Show InChI InChI=1S/C18H15FN2O3/c19-11-4-5-13-17-15(18(23)21-13)10(12-3-1-6-20-12)9-14(16(11)17)24-8-2-7-22/h1,3-6,9,20,22H,2,7-8H2,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 13: 2465-8 (2003) Article DOI: 10.1016/s0960-894x(03)00488-8 BindingDB Entry DOI: 10.7270/Q2W37TJG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10115 (9-fluoro-7-methoxy-5-(1H-pyrrol-2-yl)-2-azatricycl...) Show SMILES COc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23 Show InChI InChI=1S/C16H11FN2O2/c1-21-12-7-8(10-3-2-6-18-10)13-15-11(19-16(13)20)5-4-9(17)14(12)15/h2-7,18H,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 13: 2465-8 (2003) Article DOI: 10.1016/s0960-894x(03)00488-8 BindingDB Entry DOI: 10.7270/Q2W37TJG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10096 ((3Z)-5-fluoro-4-[(3R)-3-hydroxybut-1-yn-1-yl]-3-[(...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](C)O)c12 |r| Show InChI InChI=1S/C18H15FN2O3/c1-10(22)3-4-11-13(19)5-6-14-17(11)12(18(23)21-14)9-15-16(24-2)7-8-20-15/h5-10,20,22H,1-2H3,(H,21,23)/b12-9-/t10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10103 ((3Z)-4-[(3R)-3-(ethylamino)-4-hydroxybut-1-yn-1-yl...) Show SMILES CCN[C@@H](CO)C#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F |r| Show InChI InChI=1S/C20H20FN3O3/c1-3-22-12(11-25)4-5-13-15(21)6-7-16-19(13)14(20(26)24-16)10-17-18(27-2)8-9-23-17/h6-10,12,22-23,25H,3,11H2,1-2H3,(H,24,26)/b14-10-/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10134 (7-[(2-aminoethane)sulfonyl]-9-fluoro-5-(1H-pyrrol-...) Show SMILES NCCS(=O)(=O)c1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23 Show InChI InChI=1S/C17H14FN3O3S/c18-10-3-4-12-16-14(17(22)21-12)9(11-2-1-6-20-11)8-13(15(10)16)25(23,24)7-5-19/h1-4,6,8,20H,5,7,19H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 13: 2465-8 (2003) Article DOI: 10.1016/s0960-894x(03)00488-8 BindingDB Entry DOI: 10.7270/Q2W37TJG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10097 ((3Z)-5-fluoro-4-[(3S)-3-hydroxybut-1-yn-1-yl]-3-[(...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@H](C)O)c12 |r| Show InChI InChI=1S/C18H15FN2O3/c1-10(22)3-4-11-13(19)5-6-14-17(11)12(18(23)21-14)9-15-16(24-2)7-8-20-15/h5-10,20,22H,1-2H3,(H,21,23)/b12-9-/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10132 (7-[(2-aminoethane)sulfinyl]-9-fluoro-5-(1H-pyrrol-...) Show SMILES NCCS(=O)c1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23 Show InChI InChI=1S/C17H14FN3O2S/c18-10-3-4-12-16-14(17(22)21-12)9(11-2-1-6-20-11)8-13(15(10)16)24(23)7-5-19/h1-4,6,8,20H,5,7,19H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 13: 2465-8 (2003) Article DOI: 10.1016/s0960-894x(03)00488-8 BindingDB Entry DOI: 10.7270/Q2W37TJG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10078 ((Z)-4-[3-(3-Methoxy-1H-pyrrol-2-ylmethylene)-5-nit...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCNC(C3)C(N)=O)c12)N(=O)=O Show InChI InChI=1S/C19H20N6O5/c1-30-15-4-5-21-12(15)8-10-16-11(23-19(10)27)2-3-14(25(28)29)17(16)24-7-6-22-13(9-24)18(20)26/h2-5,8,13,21-22H,6-7,9H2,1H3,(H2,20,26)(H,23,27)/b10-8-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem 11: 1873-81 (2003) Article DOI: 10.1016/s0968-0896(03)00036-1 BindingDB Entry DOI: 10.7270/Q24M92SM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10076 ((3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-n...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(cc12)N(=O)=O Show InChI InChI=1S/C14H11N3O4/c1-21-13-4-5-15-12(13)7-10-9-6-8(17(19)20)2-3-11(9)16-14(10)18/h2-7,15H,1H3,(H,16,18)/b10-7-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem 11: 1873-81 (2003) Article DOI: 10.1016/s0968-0896(03)00036-1 BindingDB Entry DOI: 10.7270/Q24M92SM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10108 (4-alkynyl oxindole 7n | N-[(3R,4R)-1-[(3Z)-5-fluor...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](NS(C)(=O)=O)[C@@H](C)O)c12 |r| Show InChI InChI=1S/C20H20FN3O5S/c1-11(25)15(24-30(3,27)28)6-4-12-14(21)5-7-16-19(12)13(20(26)23-16)10-17-18(29-2)8-9-22-17/h5,7-11,15,22,24-25H,1-3H3,(H,23,26)/b13-10-/t11-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10123 (7-[(3-aminopropyl)amino]-9-fluoro-5-(1H-pyrrol-2-y...) Show SMILES NCCCNc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23 Show InChI InChI=1S/C18H17FN4O/c19-11-4-5-13-17-15(18(24)23-13)10(12-3-1-7-21-12)9-14(16(11)17)22-8-2-6-20/h1,3-5,7,9,21-22H,2,6,8,20H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 13: 2465-8 (2003) Article DOI: 10.1016/s0960-894x(03)00488-8 BindingDB Entry DOI: 10.7270/Q2W37TJG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10121 (9-fluoro-7-[(2-hydroxyethyl)amino]-5-(1H-pyrrol-2-...) Show SMILES OCCNc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23 Show InChI InChI=1S/C17H14FN3O2/c18-10-3-4-12-16-14(17(23)21-12)9(11-2-1-5-19-11)8-13(15(10)16)20-6-7-22/h1-5,8,19-20,22H,6-7H2,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 13: 2465-8 (2003) Article DOI: 10.1016/s0960-894x(03)00488-8 BindingDB Entry DOI: 10.7270/Q2W37TJG
					More data for this Ligand-Target Pair

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