Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'hecker' and Initial = 'ka'   

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))	BDBM6708 (7-fluoro-1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,...) Show SMILES Fc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CNCCn(c34)c12 Show InChI InChI=1S/C23H15FN4O2/c24-11-4-5-12-14(8-11)26-19-15(12)17-18(23(30)27-22(17)29)16-13-3-1-2-10-9-25-6-7-28(20(10)13)21(16)19/h1-5,8,25-26H,6-7,9H2,(H,27,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6706 (1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,17}.0^{3,...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCNCc4cccc(c34)c21 Show InChI InChI=1S/C23H16N4O2/c28-22-17-15-12-5-1-2-7-14(12)25-19(15)21-16(18(17)23(29)26-22)13-6-3-4-11-10-24-8-9-27(21)20(11)13/h1-7,24-25H,8-10H2,(H,26,28,29)	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	27	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6708 (7-fluoro-1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,...) Show SMILES Fc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CNCCn(c34)c12 Show InChI InChI=1S/C23H15FN4O2/c24-11-4-5-12-14(8-11)26-19-15(12)17-18(23(30)27-22(17)29)16-13-3-1-2-10-9-25-6-7-28(20(10)13)21(16)19/h1-5,8,25-26H,6-7,9H2,(H,27,29,30)	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	31	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6707 (8-fluoro-1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,...) Show SMILES Fc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CNCCn(c56)c34)c2c1 Show InChI InChI=1S/C23H15FN4O2/c24-11-4-5-14-13(8-11)15-17-18(23(30)27-22(17)29)16-12-3-1-2-10-9-25-6-7-28(20(10)12)21(16)19(15)26-14/h1-5,8,25-26H,6-7,9H2,(H,27,29,30)	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	34	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6706 (1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,17}.0^{3,...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCNCc4cccc(c34)c21 Show InChI InChI=1S/C23H16N4O2/c28-22-17-15-12-5-1-2-7-14(12)25-19(15)21-16(18(17)23(29)26-22)13-6-3-4-11-10-24-8-9-27(21)20(11)13/h1-7,24-25H,8-10H2,(H,26,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM6717 (1,4,14,24-tetraazaheptacyclo[16.10.1.0^{2,17}.0^{3...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCCNCc4cccc(c34)c21 Show InChI InChI=1S/C25H20N4O2/c30-24-19-17-14-7-1-2-9-16(14)27-21(17)23-18(20(19)25(31)28-24)15-8-5-6-13-12-26-10-3-4-11-29(23)22(13)15/h1-2,5-9,26-27H,3-4,10-12H2,(H,28,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6711 (6-(hydroxymethyl)-7-(trifluoromethyl)-1,4,14,24-te...) Show SMILES OCc1c(ccc2c1[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CNCCn(c34)c12)C(F)(F)F Show InChI InChI=1S/C25H17F3N4O3/c26-25(27,28)14-5-4-11-15-17-18(24(35)31-23(17)34)16-12-3-1-2-10-8-29-6-7-32(21(10)12)22(16)20(15)30-19(11)13(14)9-33/h1-5,29-30,33H,6-9H2,(H,31,34,35)	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	44	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6736 (1,7-Annulated indolocarbazole deriv. 16c | 7-(pyrr...) Show SMILES O=C1NC(=O)c2c1c1c3ccc(CN4CCCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34 Show InChI InChI=1S/C28H24N4O2/c33-27-22-20-17-9-8-15(14-31-10-1-2-11-31)13-19(17)29-24(20)26-21(23(22)28(34)30-27)18-7-3-5-16-6-4-12-32(26)25(16)18/h3,5,7-9,13,29H,1-2,4,6,10-12,14H2,(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6712 (24-methanesulfonyl-1,4,14,24-tetraazaheptacyclo[16...) Show SMILES CS(=O)(=O)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21 Show InChI InChI=1S/C24H18N4O4S/c1-33(31,32)27-9-10-28-21-12(11-27)5-4-7-14(21)17-19-18(23(29)26-24(19)30)16-13-6-2-3-8-15(13)25-20(16)22(17)28/h2-8,25H,9-11H2,1H3,(H,26,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6740 (1,7-Annulated indolocarbazole deriv. 16g | 7-(pipe...) Show SMILES O=C1NC(=O)c2c1c1c3ccc(CN4CCNCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34 Show InChI InChI=1S/C28H25N5O2/c34-27-22-20-17-7-6-15(14-32-11-8-29-9-12-32)13-19(17)30-24(20)26-21(23(22)28(35)31-27)18-5-1-3-16-4-2-10-33(26)25(16)18/h1,3,5-7,13,29-30H,2,4,8-12,14H2,(H,31,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6710 (7-(trifluoromethyl)-1,4,14,24-tetraazaheptacyclo[1...) Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CNCCn(c34)c12 Show InChI InChI=1S/C24H15F3N4O2/c25-24(26,27)11-4-5-12-14(8-11)29-19-15(12)17-18(23(33)30-22(17)32)16-13-3-1-2-10-9-28-6-7-31(20(10)13)21(16)19/h1-5,8,28-29H,6-7,9H2,(H,30,32,33)	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	69	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6738 (1,7-Annulated indolocarbazole deriv. 16e | 7-(morp...) Show SMILES O=C1NC(=O)c2c1c1c3ccc(CN4CCOCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34 Show InChI InChI=1S/C28H24N4O3/c33-27-22-20-17-7-6-15(14-31-9-11-35-12-10-31)13-19(17)29-24(20)26-21(23(22)28(34)30-27)18-5-1-3-16-4-2-8-32(26)25(16)18/h1,3,5-7,13,29H,2,4,8-12,14H2,(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6735 (1,7-Annulated indolocarbazole deriv. 16b | 7-(azet...) Show SMILES O=C1NC(=O)c2c1c1c3ccc(CN4CCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34 Show InChI InChI=1S/C27H22N4O2/c32-26-21-19-16-8-7-14(13-30-9-3-10-30)12-18(16)28-23(19)25-20(22(21)27(33)29-26)17-6-1-4-15-5-2-11-31(25)24(15)17/h1,4,6-8,12,28H,2-3,5,9-11,13H2,(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6715 (24-(propan-2-yl)-1,4,14,24-tetraazaheptacyclo[16.8...) Show SMILES CC(C)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21 Show InChI InChI=1S/C26H22N4O2/c1-13(2)29-10-11-30-23-14(12-29)6-5-8-16(23)19-21-20(25(31)28-26(21)32)18-15-7-3-4-9-17(15)27-22(18)24(19)30/h3-9,13,27H,10-12H2,1-2H3,(H,28,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6741 (1,7-Annulated indolocarbazole deriv. 16h | 7-(1,4-...) Show SMILES O=C1NC(=O)c2c1c1c3ccc(CN4CCCNCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34 Show InChI InChI=1S/C29H27N5O2/c35-28-23-21-18-8-7-16(15-33-11-3-9-30-10-13-33)14-20(18)31-25(21)27-22(24(23)29(36)32-28)19-6-1-4-17-5-2-12-34(27)26(17)19/h1,4,6-8,14,30-31H,2-3,5,9-13,15H2,(H,32,35,36)	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	79	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6717 (1,4,14,24-tetraazaheptacyclo[16.10.1.0^{2,17}.0^{3...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCCNCc4cccc(c34)c21 Show InChI InChI=1S/C25H20N4O2/c30-24-19-17-14-7-1-2-9-16(14)27-21(17)23-18(20(19)25(31)28-24)15-8-5-6-13-12-26-10-3-4-11-29(23)22(13)15/h1-2,5-9,26-27H,3-4,10-12H2,(H,28,30,31)	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	84	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6737 (1,7-Annulated indolocarbazole deriv. 16d | 7-(pipe...) Show SMILES O=C1NC(=O)c2c1c1c3ccc(CN4CCCCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34 Show InChI InChI=1S/C29H26N4O2/c34-28-23-21-18-10-9-16(15-32-11-2-1-3-12-32)14-20(18)30-25(21)27-22(24(23)29(35)31-28)19-8-4-6-17-7-5-13-33(27)26(17)19/h4,6,8-10,14,30H,1-3,5,7,11-13,15H2,(H,31,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6729 (1,7-Annulated indolocarbazole deriv. 6l | 7-bromo-...) Show SMILES Brc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12 Show InChI InChI=1S/C23H14BrN3O2/c24-11-6-7-12-14(9-11)25-19-15(12)17-18(23(29)26-22(17)28)16-13-5-1-3-10-4-2-8-27(20(10)13)21(16)19/h1,3,5-7,9,25H,2,4,8H2,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6739 (1,7-Annulated indolocarbazole deriv. 16f | 7-(thio...) Show SMILES O=C1NC(=O)c2c1c1c3ccc(CN4CCSCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34 Show InChI InChI=1S/C28H24N4O2S/c33-27-22-20-17-7-6-15(14-31-9-11-35-12-10-31)13-19(17)29-24(20)26-21(23(22)28(34)30-27)18-5-1-3-16-4-2-8-32(26)25(16)18/h1,3,5-7,13,29H,2,4,8-12,14H2,(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6720 (1,4,14-triazaheptacyclo[16.8.1.0^{2,17}.0^{3,11}.0...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCCc4cccc(c21)c34 Show InChI InChI=1S/C24H17N3O2/c28-23-18-16-13-8-1-2-10-15(13)25-20(16)22-17(19(18)24(29)26-23)14-9-5-7-12-6-3-4-11-27(22)21(12)14/h1-2,5,7-10,25H,3-4,6,11H2,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6714 (24-(2-aminoacetyl)-1,4,14,24-tetraazaheptacyclo[16...) Show SMILES NCC(=O)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21 Show InChI InChI=1S/C25H19N5O3/c26-10-16(31)29-8-9-30-22-12(11-29)4-3-6-14(22)18-20-19(24(32)28-25(20)33)17-13-5-1-2-7-15(13)27-21(17)23(18)30/h1-7,27H,8-11,26H2,(H,28,32,33)	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	100	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6709 (7,8-difluoro-1,4,14,24-tetraazaheptacyclo[16.8.1.0...) Show SMILES Fc1cc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CNCCn(c56)c34)c2cc1F Show InChI InChI=1S/C23H14F2N4O2/c24-12-6-11-14(7-13(12)25)27-19-15(11)17-18(23(31)28-22(17)30)16-10-3-1-2-9-8-26-4-5-29(20(9)10)21(16)19/h1-3,6-7,26-27H,4-5,8H2,(H,28,30,31)	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	110	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6728 (1,7-Annulated indolocarbazole deriv. 6k | 7-chloro...) Show SMILES Clc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12 Show InChI InChI=1S/C23H14ClN3O2/c24-11-6-7-12-14(9-11)25-19-15(12)17-18(23(29)26-22(17)28)16-13-5-1-3-10-4-2-8-27(20(10)13)21(16)19/h1,3,5-7,9,25H,2,4,8H2,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6719 (1,4,14-triazaheptacyclo[16.7.1.0^{2,17}.0^{3,11}.0...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCc4cccc(c21)c34 Show InChI InChI=1S/C23H15N3O2/c27-22-17-15-12-7-1-2-9-14(12)24-19(15)21-16(18(17)23(28)25-22)13-8-3-5-11-6-4-10-26(21)20(11)13/h1-3,5,7-9,24H,4,6,10H2,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6713 (24-[(1-methyl-1H-imidazole-4-)sulfonyl]-1,4,14,24-...) Show SMILES Cn1cnc(c1)S(=O)(=O)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21 Show InChI InChI=1S/C27H20N6O4S/c1-31-12-18(28-13-31)38(36,37)32-9-10-33-24-14(11-32)5-4-7-16(24)20-22-21(26(34)30-27(22)35)19-15-6-2-3-8-17(15)29-23(19)25(20)33/h2-8,12-13,29H,9-11H2,1H3,(H,30,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6721 (1,4,14-triazaheptacyclo[16.9.1.0^{2,17}.0^{3,11}.0...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCCCc4cccc(c21)c34 Show InChI InChI=1S/C25H19N3O2/c29-24-19-17-14-9-3-4-11-16(14)26-21(17)23-18(20(19)25(30)27-24)15-10-6-8-13-7-2-1-5-12-28(23)22(13)15/h3-4,6,8-11,26H,1-2,5,7,12H2,(H,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6716 (1,4,14,25-tetraazaheptacyclo[16.9.1.0^{2,17}.0^{3,...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCNCCc4cccc(c34)c21 Show InChI InChI=1S/C24H18N4O2/c29-23-18-16-13-5-1-2-7-15(13)26-20(16)22-17(19(18)24(30)27-23)14-6-3-4-12-8-9-25-10-11-28(22)21(12)14/h1-7,25-26H,8-11H2,(H,27,29,30)	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	160	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM6706 (1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,17}.0^{3,...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCNCc4cccc(c34)c21 Show InChI InChI=1S/C23H16N4O2/c28-22-17-15-12-5-1-2-7-14(12)25-19(15)21-16(18(17)23(29)26-22)13-6-3-4-11-10-24-8-9-27(21)20(11)13/h1-7,24-25H,8-10H2,(H,26,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6732 (1,7-Annulated indolocarbazole deriv. 6o | 7-(pyrid...) Show SMILES O=C1NC(=O)c2c1c1c3ccc(cc3[nH]c1c1n3CCCc4cccc(c34)c21)-c1cccnc1 Show InChI InChI=1S/C28H18N4O2/c33-27-22-20-17-9-8-15(16-5-2-10-29-13-16)12-19(17)30-24(20)26-21(23(22)28(34)31-27)18-7-1-4-14-6-3-11-32(26)25(14)18/h1-2,4-5,7-10,12-13,30H,3,6,11H2,(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6734 (1,7-Annulated indolocarbazole deriv. 16a | 7-(amin...) Show SMILES NCc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12 Show InChI InChI=1S/C24H18N4O2/c25-10-11-6-7-13-15(9-11)26-20-16(13)18-19(24(30)27-23(18)29)17-14-5-1-3-12-4-2-8-28(21(12)14)22(17)20/h1,3,5-7,9,26H,2,4,8,10,25H2,(H,27,29,30)	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	170	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6717 (1,4,14,24-tetraazaheptacyclo[16.10.1.0^{2,17}.0^{3...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCCNCc4cccc(c34)c21 Show InChI InChI=1S/C25H20N4O2/c30-24-19-17-14-7-1-2-9-16(14)27-21(17)23-18(20(19)25(31)28-24)15-8-5-6-13-12-26-10-3-4-11-29(23)22(13)15/h1-2,5-9,26-27H,3-4,10-12H2,(H,28,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM6707 (8-fluoro-1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,...) Show SMILES Fc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CNCCn(c56)c34)c2c1 Show InChI InChI=1S/C23H15FN4O2/c24-11-4-5-14-13(8-11)15-17-18(23(30)27-22(17)29)16-12-3-1-2-10-9-25-6-7-28(20(10)12)21(16)19(15)26-14/h1-5,8,25-26H,6-7,9H2,(H,27,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6710 (7-(trifluoromethyl)-1,4,14,24-tetraazaheptacyclo[1...) Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CNCCn(c34)c12 Show InChI InChI=1S/C24H15F3N4O2/c25-24(26,27)11-4-5-12-14(8-11)29-19-15(12)17-18(23(33)30-22(17)32)16-13-3-1-2-10-9-28-6-7-31(20(10)13)21(16)19/h1-5,8,28-29H,6-7,9H2,(H,30,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6718 (1,4,14-triazaheptacyclo[16.6.1.0^{2,17}.0^{3,11}.0...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCc4cccc(c34)c21 Show InChI InChI=1S/C22H13N3O2/c26-21-16-14-11-5-1-2-7-13(11)23-18(14)20-15(17(16)22(27)24-21)12-6-3-4-10-8-9-25(20)19(10)12/h1-7,23H,8-9H2,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6730 (1,7-Annulated indolocarbazole deriv. 6m | 7-(trifl...) Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12 Show InChI InChI=1S/C24H14F3N3O2/c25-24(26,27)11-6-7-12-14(9-11)28-19-15(12)17-18(23(32)29-22(17)31)16-13-5-1-3-10-4-2-8-30(20(10)13)21(16)19/h1,3,5-7,9,28H,2,4,8H2,(H,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6727 (1,7-Annulated indolocarbazole deriv. 6j | 7-fluoro...) Show SMILES Fc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12 Show InChI InChI=1S/C23H14FN3O2/c24-11-6-7-12-14(9-11)25-19-15(12)17-18(23(29)26-22(17)28)16-13-5-1-3-10-4-2-8-27(20(10)13)21(16)19/h1,3,5-7,9,25H,2,4,8H2,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM6708 (7-fluoro-1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,...) Show SMILES Fc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CNCCn(c34)c12 Show InChI InChI=1S/C23H15FN4O2/c24-11-4-5-12-14(8-11)26-19-15(12)17-18(23(30)27-22(17)29)16-13-3-1-2-10-9-25-6-7-28(20(10)13)21(16)19/h1-5,8,25-26H,6-7,9H2,(H,27,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6733 (1,7-Annulated indolocarbazole deriv. 6p | 7-(pyrid...) Show SMILES O=C1NC(=O)c2c1c1c3ccc(cc3[nH]c1c1n3CCCc4cccc(c34)c21)-c1ccncc1 Show InChI InChI=1S/C28H18N4O2/c33-27-22-20-17-7-6-16(14-8-10-29-11-9-14)13-19(17)30-24(20)26-21(23(22)28(34)31-27)18-5-1-3-15-4-2-12-32(26)25(15)18/h1,3,5-11,13,30H,2,4,12H2,(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6715 (24-(propan-2-yl)-1,4,14,24-tetraazaheptacyclo[16.8...) Show SMILES CC(C)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21 Show InChI InChI=1S/C26H22N4O2/c1-13(2)29-10-11-30-23-14(12-29)6-5-8-16(23)19-21-20(25(31)28-26(21)32)18-15-7-3-4-9-17(15)27-22(18)24(19)30/h3-9,13,27H,10-12H2,1-2H3,(H,28,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6729 (1,7-Annulated indolocarbazole deriv. 6l | 7-bromo-...) Show SMILES Brc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12 Show InChI InChI=1S/C23H14BrN3O2/c24-11-6-7-12-14(9-11)25-19-15(12)17-18(23(29)26-22(17)28)16-13-5-1-3-10-4-2-8-27(20(10)13)21(16)19/h1,3,5-7,9,25H,2,4,8H2,(H,26,28,29)	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	n/a	25
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6720 (1,4,14-triazaheptacyclo[16.8.1.0^{2,17}.0^{3,11}.0...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCCc4cccc(c21)c34 Show InChI InChI=1S/C24H17N3O2/c28-23-18-16-13-8-1-2-10-15(13)25-20(16)22-17(19(18)24(29)26-23)14-9-5-7-12-6-3-4-11-27(22)21(12)14/h1-2,5,7-10,25H,3-4,6,11H2,(H,26,28,29)	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	n/a	25
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6719 (1,4,14-triazaheptacyclo[16.7.1.0^{2,17}.0^{3,11}.0...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCc4cccc(c21)c34 Show InChI InChI=1S/C23H15N3O2/c27-22-17-15-12-7-1-2-9-14(12)24-19(15)21-16(18(17)23(28)25-22)13-8-3-5-11-6-4-10-26(21)20(11)13/h1-3,5,7-9,24H,4,6,10H2,(H,25,27,28)	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	n/a	25
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6725 (1,7-Annulated indolocarbazole deriv. 6h | 8-bromo-...) Show SMILES Brc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CCCn(c56)c34)c2c1 Show InChI InChI=1S/C23H14BrN3O2/c24-11-6-7-14-13(9-11)15-17-18(23(29)26-22(17)28)16-12-5-1-3-10-4-2-8-27(20(10)12)21(16)19(15)25-14/h1,3,5-7,9,25H,2,4,8H2,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	7.0	22
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM6715 (24-(propan-2-yl)-1,4,14,24-tetraazaheptacyclo[16.8...) Show SMILES CC(C)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21 Show InChI InChI=1S/C26H22N4O2/c1-13(2)29-10-11-30-23-14(12-29)6-5-8-16(23)19-21-20(25(31)28-26(21)32)18-15-7-3-4-9-17(15)27-22(18)24(19)30/h3-9,13,27H,10-12H2,1-2H3,(H,28,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM6714 (24-(2-aminoacetyl)-1,4,14,24-tetraazaheptacyclo[16...) Show SMILES NCC(=O)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21 Show InChI InChI=1S/C25H19N5O3/c26-10-16(31)29-8-9-30-22-12(11-29)4-3-6-14(22)18-20-19(24(32)28-25(20)33)17-13-5-1-2-7-15(13)27-21(17)23(18)30/h1-7,27H,8-11,26H2,(H,28,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...				Bioorg Med Chem Lett 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6718 (1,4,14-triazaheptacyclo[16.6.1.0^{2,17}.0^{3,11}.0...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCc4cccc(c34)c21 Show InChI InChI=1S/C22H13N3O2/c26-21-16-14-11-5-1-2-7-13(11)23-18(14)20-15(17(16)22(27)24-21)12-6-3-4-10-8-9-25(20)19(10)12/h1-7,23H,8-9H2,(H,24,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6721 (1,4,14-triazaheptacyclo[16.9.1.0^{2,17}.0^{3,11}.0...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCCCc4cccc(c21)c34 Show InChI InChI=1S/C25H19N3O2/c29-24-19-17-14-9-3-4-11-16(14)26-21(17)23-18(20(19)25(30)27-24)15-10-6-8-13-7-2-1-5-12-28(23)22(13)15/h3-4,6,8-11,26H,1-2,5,7,12H2,(H,27,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6727 (1,7-Annulated indolocarbazole deriv. 6j | 7-fluoro...) Show SMILES Fc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12 Show InChI InChI=1S/C23H14FN3O2/c24-11-6-7-12-14(9-11)25-19-15(12)17-18(23(29)26-22(17)28)16-13-5-1-3-10-4-2-8-27(20(10)13)21(16)19/h1,3,5-7,9,25H,2,4,8H2,(H,26,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6728 (1,7-Annulated indolocarbazole deriv. 6k | 7-chloro...) Show SMILES Clc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12 Show InChI InChI=1S/C23H14ClN3O2/c24-11-6-7-12-14(9-11)25-19-15(12)17-18(23(29)26-22(17)28)16-13-5-1-3-10-4-2-8-27(20(10)13)21(16)19/h1,3,5-7,9,25H,2,4,8H2,(H,26,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6730 (1,7-Annulated indolocarbazole deriv. 6m | 7-(trifl...) Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12 Show InChI InChI=1S/C24H14F3N3O2/c25-24(26,27)11-6-7-12-14(9-11)28-19-15(12)17-18(23(32)29-22(17)31)16-13-5-1-3-10-4-2-8-30(20(10)13)21(16)19/h1,3,5-7,9,28H,2,4,8H2,(H,29,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 14: 3217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.03.105 BindingDB Entry DOI: 10.7270/Q2Q52MTT
					More data for this Ligand-Target Pair

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