Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'patel' and Initial = 'bk'   

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
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibition of Cyclin E-cyclin-dependent kinase 2				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibition of Cyclin E-cyclin-dependent kinase 2				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibition of Protein kinase A				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma (Homo sapiens (Human))	BDBM2672 (3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibition of Cyclin E-cyclin-dependent kinase 2				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6760 ((+)-K-252a | CHEMBL281948 | K-252a | methyl (15S,1...) Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM14187 (3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3ccccc3c21 Show InChI InChI=1S/C22H12N2O2/c25-21-18-16-12-6-2-1-5-11(12)9-10-14(16)20-17(19(18)22(26)24-21)13-7-3-4-8-15(13)23-20/h1-10,23H,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6772 (3-[3-(methylamino)propyl]-3,13,23-triazahexacyclo[...) Show SMILES CNCCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12 Show InChI InChI=1S/C24H20N4O2/c1-25-11-6-12-28-16-10-5-3-8-14(16)18-20-19(23(29)27-24(20)30)17-13-7-2-4-9-15(13)26-21(17)22(18)28/h2-5,7-10,25-26H,6,11-12H2,1H3,(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	50	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibition of Cyclin B-cyclin-dependent kinase 1				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6781 (3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahe...) Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(CC(O)CO)c3c12 Show InChI InChI=1S/C24H19N3O4/c1-26-15-8-4-2-6-13(15)17-19-20(24(31)25-23(19)30)18-14-7-3-5-9-16(14)27(10-12(29)11-28)22(18)21(17)26/h2-9,12,28-29H,10-11H2,1H3,(H,25,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<60	n/a	n/a	n/a	n/a	n/a	25
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6770 (3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0...) Show SMILES OCCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12 Show InChI InChI=1S/C23H17N3O3/c27-11-5-10-26-15-9-4-2-7-13(15)17-19-18(22(28)25-23(19)29)16-12-6-1-3-8-14(12)24-20(16)21(17)26/h1-4,6-9,24,27H,5,10-11H2,(H,25,28,29)	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	70	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6776 (3-methyl-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0...) Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12 Show InChI InChI=1S/C21H13N3O2/c1-24-13-9-5-3-7-11(13)15-17-16(20(25)23-21(17)26)14-10-6-2-4-8-12(10)22-18(14)19(15)24/h2-9,22H,1H3,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6768 (20-bromo-3-methyl-3,13,23-triazahexacyclo[14.7.0.0...) Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccc(Br)cc4[nH]c3c12 Show InChI InChI=1S/C21H12BrN3O2/c1-25-13-5-3-2-4-11(13)15-17-16(20(26)24-21(17)27)14-10-7-6-9(22)8-12(10)23-18(14)19(15)25/h2-8,23H,1H3,(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 Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM6772 (3-[3-(methylamino)propyl]-3,13,23-triazahexacyclo[...) Show SMILES CNCCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12 Show InChI InChI=1S/C24H20N4O2/c1-25-11-6-12-28-16-10-5-3-8-14(16)18-20-19(23(29)27-24(20)30)17-13-7-2-4-9-15(13)26-21(17)22(18)28/h2-5,7-10,25-26H,6,11-12H2,1H3,(H,27,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	25
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6766 (20-fluoro-3-methyl-3,13,23-triazahexacyclo[14.7.0....) Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccc(F)cc4[nH]c3c12 Show InChI InChI=1S/C21H12FN3O2/c1-25-13-5-3-2-4-11(13)15-17-16(20(26)24-21(17)27)14-10-7-6-9(22)8-12(10)23-18(14)19(15)25/h2-8,23H,1H3,(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 Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM2684 (3-[3-(dimethylamino)propyl]-3,13,23-triazahexacycl...) Show SMILES CN(C)CCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12 Show InChI InChI=1S/C25H22N4O2/c1-28(2)12-7-13-29-17-11-6-4-9-15(17)19-21-20(24(30)27-25(21)31)18-14-8-3-5-10-16(14)26-22(18)23(19)29/h3-6,8-11,26H,7,12-13H2,1-2H3,(H,27,30,31)	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	130	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM2672 (3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM2672 (3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6766 (20-fluoro-3-methyl-3,13,23-triazahexacyclo[14.7.0....) Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccc(F)cc4[nH]c3c12 Show InChI InChI=1S/C21H12FN3O2/c1-25-13-5-3-2-4-11(13)15-17-16(20(26)24-21(17)27)14-10-7-6-9(22)8-12(10)23-18(14)19(15)25/h2-8,23H,1H3,(H,24,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	25
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50134579 (11H-3-Thia-5,11-diaza-benzo[a]trindene-4,6-dione |...) Show SMILES O=C1NC(=O)c2c1c1sccc1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C16H8N2O2S/c19-15-11-10-7-3-1-2-4-9(7)17-13(10)8-5-6-21-14(8)12(11)16(20)18-15/h1-6,17H,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6772 (3-[3-(methylamino)propyl]-3,13,23-triazahexacyclo[...) Show SMILES CNCCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12 Show InChI InChI=1S/C24H20N4O2/c1-25-11-6-12-28-16-10-5-3-8-14(16)18-20-19(23(29)27-24(20)30)17-13-7-2-4-9-15(13)26-21(17)22(18)28/h2-5,7-10,25-26H,6,11-12H2,1H3,(H,27,29,30)	PDB UniProtKB/SwissProt 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	n/a	25
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6770 (3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0...) Show SMILES OCCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12 Show InChI InChI=1S/C23H17N3O3/c27-11-5-10-26-15-9-4-2-7-13(15)17-19-18(22(28)25-23(19)29)16-12-6-1-3-8-14(12)24-20(16)21(17)26/h1-4,6-9,24,27H,5,10-11H2,(H,25,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	25
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6778 (6,20-dimethoxy-3,13,23-triazahexacyclo[14.7.0.0^{2...) Show SMILES COc1ccc2c(c1)[nH]c1c3[nH]c4cc(OC)ccc4c3c3C(=O)NC(=O)c3c21 Show InChI InChI=1S/C22H15N3O4/c1-28-9-3-5-11-13(7-9)23-19-15(11)17-18(22(27)25-21(17)26)16-12-6-4-10(29-2)8-14(12)24-20(16)19/h3-8,23-24H,1-2H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50134578 (1,2,3,8-tetrahydropyrido[3,2-a]pyrrolo[4,3-c]carba...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1cccnc21 Show InChI InChI=1S/C17H9N3O2/c21-16-12-11-8-4-1-2-6-10(8)19-15(11)9-5-3-7-18-14(9)13(12)17(22)20-16/h1-7,19H,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma (Homo sapiens (Human))	BDBM2581 (3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...) Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM14188 (3-thia-13,23-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21 Show InChI InChI=1S/C20H10N2O2S/c23-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(24)22-19)10-6-2-4-8-12(10)25-18/h1-8,21H,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50134576 (6,7,12,13-tetrahydro-5H-pyrido[3',2':4,5]pyrrolo[2...) Show SMILES O=C1NC(=O)c2c1c1c3ccc[nH]c3nc1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C19H8N4O2/c24-18-13-11-8-4-1-2-6-10(8)21-15(11)16-12(14(13)19(25)23-18)9-5-3-7-20-17(9)22-16/h1-7H,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6781 (3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahe...) Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(CC(O)CO)c3c12 Show InChI InChI=1S/C24H19N3O4/c1-26-15-8-4-2-6-13(15)17-19-20(24(31)25-23(19)30)18-14-7-3-5-9-16(14)27(10-12(29)11-28)22(18)21(17)26/h2-9,12,28-29H,10-11H2,1H3,(H,25,30,31)	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	260	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50134580 (1,2,3,8-tetrahydro-benzo[a]pyrrolo[3,4-c]carbazole...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccccc21 Show InChI InChI=1S/C18H10N2O2/c21-17-14-9-5-1-2-6-10(9)16-13(15(14)18(22)20-17)11-7-3-4-8-12(11)19-16/h1-8,19H,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibition of Cyclin E-cyclin-dependent kinase 2				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6760 ((+)-K-252a | CHEMBL281948 | K-252a | methyl (15S,1...) Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	25
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM14187 (3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3ccccc3c21 Show InChI InChI=1S/C22H12N2O2/c25-21-18-16-12-6-2-1-5-11(12)9-10-14(16)20-17(19(18)22(26)24-21)13-7-3-4-8-15(13)23-20/h1-10,23H,(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	275	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50134577 (1,2,3,4,5,6,7,12-octahydronaphtho[2,1-a]pyrrolo[4,...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3CCCCc3c21 Show InChI InChI=1S/C22H16N2O2/c25-21-18-16-12-6-2-1-5-11(12)9-10-14(16)20-17(19(18)22(26)24-21)13-7-3-4-8-15(13)23-20/h3-4,7-10,23H,1-2,5-6H2,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50134575 (7,8,9,14-tetrahydronaphtho[1,2-a]pyrrolo[4,3-c]car...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2ccc2ccccc12 Show InChI InChI=1S/C22H12N2O2/c25-21-18-14-10-9-11-5-1-2-6-12(11)16(14)20-17(19(18)22(26)24-21)13-7-3-4-8-15(13)23-20/h1-10,23H,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6763 (28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3n3C4CCC(O4)n4c5ccccc5c2c4c13 Show InChI InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM2591 ((Arylindolyl)maleimide deriv. 13 | 3,4-bis(1-methy...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C22H17N3O2/c1-24-11-15(13-7-3-5-9-17(13)24)19-20(22(27)23-21(19)26)16-12-25(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3,(H,23,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	25
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3 (Homo sapiens (Human))	BDBM14187 (3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3ccccc3c21 Show InChI InChI=1S/C22H12N2O2/c25-21-18-16-12-6-2-1-5-11(12)9-10-14(16)20-17(19(18)22(26)24-21)13-7-3-4-8-15(13)23-20/h1-10,23H,(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibition of Cyclin B-cyclin-dependent kinase 1				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6763 (28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3n3C4CCC(O4)n4c5ccccc5c2c4c13 Show InChI InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	25
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6767 (3-(6-bromo-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-y...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3cc(Br)ccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C21H14BrN3O2/c1-25-10-15(13-4-2-3-5-17(13)25)19-18(20(26)24-21(19)27)14-9-23-16-8-11(22)6-7-12(14)16/h2-10,23H,1H3,(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 Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50216165 (1,11-dihydro-1,3,5,11-tetraaza-benzo[a]trindene-4,...) Show SMILES O=C1NC(=O)c2c1c1[nH]cnc1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C15H8N4O2/c20-14-9-8-6-3-1-2-4-7(6)18-12(8)13-11(16-5-17-13)10(9)15(21)19-14/h1-5,18H,(H,16,17)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM6781 (3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahe...) Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(CC(O)CO)c3c12 Show InChI InChI=1S/C24H19N3O4/c1-26-15-8-4-2-6-13(15)17-19-20(24(31)25-23(19)30)18-14-7-3-5-9-16(14)27(10-12(29)11-28)22(18)21(17)26/h2-9,12,28-29H,10-11H2,1H3,(H,25,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	25
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM2581 (3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...) Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM2581 (3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...) Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6765 (3-(6-fluoro-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3cc(F)ccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C21H14FN3O2/c1-25-10-15(13-4-2-3-5-17(13)25)19-18(20(26)24-21(19)27)14-9-23-16-8-11(22)6-7-12(14)16/h2-10,23H,1H3,(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 Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM2591 ((Arylindolyl)maleimide deriv. 13 | 3,4-bis(1-methy...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C22H17N3O2/c1-24-11-15(13-7-3-5-9-17(13)24)19-20(22(27)23-21(19)26)16-12-25(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3,(H,23,26,27)	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	890	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM2672 (3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibition of Cyclin B-cyclin-dependent kinase 1				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM2672 (3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	25
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM6771 (3-(1H-indol-3-yl)-4-{1-[3-(methylamino)propyl]-1H-...) Show SMILES CNCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:8| Show InChI InChI=1S/C24H22N4O2/c1-25-11-6-12-28-14-18(16-8-3-5-10-20(16)28)22-21(23(29)27-24(22)30)17-13-26-19-9-4-2-7-15(17)19/h2-5,7-10,13-14,25-26H,6,11-12H2,1H3,(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	960	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM2683 (2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...) Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					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 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM2581 (3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...) Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair

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