Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 1213   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	BDBM10104 ((3Z)-5-fluoro-4-[(3R)-4-hydroxy-3-[(2-hydroxyethyl...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@H](CO)NCCO)c12 |r| Show InChI InChI=1S/C20H20FN3O4/c1-28-18-6-7-23-17(18)10-14-19-13(3-2-12(11-26)22-8-9-25)15(21)4-5-16(19)24-20(14)27/h4-7,10,12,22-23,25-26H,8-9,11H2,1H3,(H,24,27)/b14-10-/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	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))	BDBM10074 ((3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methyli...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)cc12 Show InChI InChI=1S/C14H11FN2O2/c1-19-13-4-5-16-12(13)7-10-9-6-8(15)2-3-11(9)17-14(10)18/h2-7,16H,1H3,(H,17,18)/b10-7-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	847	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))	BDBM10094 ((3Z)-5-fluoro-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(I)c12 Show InChI InChI=1S/C14H10FIN2O2/c1-20-11-4-5-17-10(11)6-7-12-9(18-14(7)19)3-2-8(15)13(12)16/h2-6,17H,1H3,(H,18,19)/b7-6-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+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