Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 4251   

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
G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM59097 (Aminopyrimidine, 10) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C19H23N7S/c1-13-17(27-19(20-2)23-13)16-7-8-22-18(25-16)24-14-3-5-15(6-4-14)26-11-9-21-10-12-26/h3-8,21H,9-12H2,1-2H3,(H,20,23)(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM59088 (PD0183812) Show SMILES OCCCC1CC[NH+](CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CC5CCC4C5)c3n2)cc1 |THB:23:24:27.28:30,(.54,6.93,;1.87,7.7,;3.2,6.93,;4.54,7.7,;5.87,6.93,;7.2,7.7,;8.54,6.93,;8.54,5.39,;7.2,4.62,;5.87,5.39,;9.87,4.62,;9.87,3.08,;11.21,2.31,;12.54,3.08,;13.87,2.31,;15.21,3.08,;15.21,4.62,;16.54,5.39,;17.87,4.62,;19.21,5.39,;20.54,4.62,;20.54,3.08,;21.88,2.31,;19.21,2.31,;19.21,.77,;17.67,.77,;18.44,-.56,;18.04,-2.05,;19.58,-2.05,;19.98,-.56,;20.32,.32,;17.87,3.08,;16.54,2.31,;12.54,4.62,;11.21,5.39,)| Show InChI InChI=1S/C28H35N5O2/c34-15-1-2-19-11-13-32(14-12-19)24-8-6-23(7-9-24)30-28-29-18-22-5-10-26(35)33(27(22)31-28)25-17-20-3-4-21(25)16-20/h5-10,18-21,25,34H,1-4,11-17H2,(H,29,30,31)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM6619 (3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r| Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair				3D Structure (crystal)
G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM59092 (Aminopyrimidine, 2) Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(CN)c2)n1 Show InChI InChI=1S/C17H20N6S/c1-3-19-17-21-11(2)15(24-17)14-7-8-20-16(23-14)22-13-6-4-5-12(9-13)10-18/h4-9H,3,10,18H2,1-2H3,(H,19,21)(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM59095 (Aminopyrimidine, 7) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1 Show InChI InChI=1S/C20H24N6S/c1-14-19(27-15(2)22-14)18-8-9-21-20(24-18)23-16-4-6-17(7-5-16)26-12-10-25(3)11-13-26/h4-9H,10-13H2,1-3H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM59088 (PD0183812) Show SMILES OCCCC1CC[NH+](CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CC5CCC4C5)c3n2)cc1 |THB:23:24:27.28:30,(.54,6.93,;1.87,7.7,;3.2,6.93,;4.54,7.7,;5.87,6.93,;7.2,7.7,;8.54,6.93,;8.54,5.39,;7.2,4.62,;5.87,5.39,;9.87,4.62,;9.87,3.08,;11.21,2.31,;12.54,3.08,;13.87,2.31,;15.21,3.08,;15.21,4.62,;16.54,5.39,;17.87,4.62,;19.21,5.39,;20.54,4.62,;20.54,3.08,;21.88,2.31,;19.21,2.31,;19.21,.77,;17.67,.77,;18.44,-.56,;18.04,-2.05,;19.58,-2.05,;19.98,-.56,;20.32,.32,;17.87,3.08,;16.54,2.31,;12.54,4.62,;11.21,5.39,)| Show InChI InChI=1S/C28H35N5O2/c34-15-1-2-19-11-13-32(14-12-19)24-8-6-23(7-9-24)30-28-29-18-22-5-10-26(35)33(27(22)31-28)25-17-20-3-4-21(25)16-20/h5-10,18-21,25,34H,1-4,11-17H2,(H,29,30,31)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM59090 (Pyrazol-3-yl urea) Show SMILES O=C(Nc1cc(n[nH]1)C1CCC[NH2+]1)Nc1cccc2C(=O)N3CCCC3c12 Show InChI InChI=1S/C19H22N6O2/c26-18-11-4-1-5-13(17(11)15-7-3-9-25(15)18)21-19(27)22-16-10-14(23-24-16)12-6-2-8-20-12/h1,4-5,10,12,15,20H,2-3,6-9H2,(H3,21,22,23,24,27)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM59089 (NSC625987) Show SMILES COc1ccc(OC)c2c1[nH]c1ccccc1c2=S Show InChI InChI=1S/C15H13NO2S/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16-14/h3-8H,1-2H3,(H,16,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM59097 (Aminopyrimidine, 10) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C19H23N7S/c1-13-17(27-19(20-2)23-13)16-7-8-22-18(25-16)24-14-3-5-15(6-4-14)26-11-9-21-10-12-26/h3-8,21H,9-12H2,1-2H3,(H,20,23)(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50319624 (Aminopyrimidine, 4 | CHEMBL1084454 | N1-(4-(2,4-Di...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(N)cc2)n1 Show InChI InChI=1S/C15H15N5S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,16H2,1-2H3,(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM59091 (Aminopyrimidine, 1) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(CN)c2)n1 Show InChI InChI=1S/C16H18N6S/c1-10-14(23-16(18-2)20-10)13-6-7-19-15(22-13)21-12-5-3-4-11(8-12)9-17/h3-8H,9,17H2,1-2H3,(H,18,20)(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM59092 (Aminopyrimidine, 2) Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(CN)c2)n1 Show InChI InChI=1S/C17H20N6S/c1-3-19-17-21-11(2)15(24-17)14-7-8-20-16(23-14)22-13-6-4-5-12(9-13)10-18/h4-9H,3,10,18H2,1-2H3,(H,19,21)(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM59091 (Aminopyrimidine, 1) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(CN)c2)n1 Show InChI InChI=1S/C16H18N6S/c1-10-14(23-16(18-2)20-10)13-6-7-19-15(22-13)21-12-5-3-4-11(8-12)9-17/h3-8H,9,17H2,1-2H3,(H,18,20)(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM59093 (Aminopyrimidine, 3) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(CNC(C)=O)c2)n1 Show InChI InChI=1S/C18H20N6OS/c1-11-16(26-18(19-3)22-11)15-7-8-20-17(24-15)23-14-6-4-5-13(9-14)10-21-12(2)25/h4-9H,10H2,1-3H3,(H,19,22)(H,21,25)(H,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM59096 (Aminopyrimidine, 8) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CCO)CC2)n1 Show InChI InChI=1S/C21H26N6OS/c1-15-20(29-16(2)23-15)19-7-8-22-21(25-19)24-17-3-5-18(6-4-17)27-11-9-26(10-12-27)13-14-28/h3-8,28H,9-14H2,1-2H3,(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM59094 (Aminopyrimidine, 6) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C19H22N6S/c1-13-18(26-14(2)22-13)17-7-8-21-19(24-17)23-15-3-5-16(6-4-15)25-11-9-20-10-12-25/h3-8,20H,9-12H2,1-2H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM59093 (Aminopyrimidine, 3) Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(CNC(C)=O)c2)n1 Show InChI InChI=1S/C18H20N6OS/c1-11-16(26-18(19-3)22-11)15-7-8-20-17(24-15)23-14-6-4-5-13(9-14)10-21-12(2)25/h4-9H,10H2,1-3H3,(H,19,22)(H,21,25)(H,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50277583 (2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin...) Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB 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	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM59095 (Aminopyrimidine, 7) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1 Show InChI InChI=1S/C20H24N6S/c1-14-19(27-15(2)22-14)18-8-9-21-20(24-18)23-16-4-6-17(7-5-16)26-12-10-25(3)11-13-26/h4-9H,10-13H2,1-3H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM59094 (Aminopyrimidine, 6) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C19H22N6S/c1-13-18(26-14(2)22-13)17-7-8-21-19(24-17)23-15-3-5-16(6-4-15)25-11-9-20-10-12-25/h3-8,20H,9-12H2,1-2H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50319619 (4-(2,4-Dimethylthiazol-5-yl)-N-(4-morpholinophenyl...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C19H21N5OS/c1-13-18(26-14(2)21-13)17-7-8-20-19(23-17)22-15-3-5-16(6-4-15)24-9-11-25-12-10-24/h3-8H,9-12H2,1-2H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM59096 (Aminopyrimidine, 8) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CCO)CC2)n1 Show InChI InChI=1S/C21H26N6OS/c1-15-20(29-16(2)23-15)19-7-8-22-21(25-19)24-17-3-5-18(6-4-17)27-11-9-26(10-12-27)13-14-28/h3-8,28H,9-14H2,1-2H3,(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50277583 (2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin...) Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50319624 (Aminopyrimidine, 4 | CHEMBL1084454 | N1-(4-(2,4-Di...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(N)cc2)n1 Show InChI InChI=1S/C15H15N5S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,16H2,1-2H3,(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50319619 (4-(2,4-Dimethylthiazol-5-yl)-N-(4-morpholinophenyl...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C19H21N5OS/c1-13-18(26-14(2)21-13)17-7-8-20-19(23-17)22-15-3-5-16(6-4-15)24-9-11-25-12-10-24/h3-8H,9-12H2,1-2H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM59090 (Pyrazol-3-yl urea) Show SMILES O=C(Nc1cc(n[nH]1)C1CCC[NH2+]1)Nc1cccc2C(=O)N3CCCC3c12 Show InChI InChI=1S/C19H22N6O2/c26-18-11-4-1-5-13(17(11)15-7-3-9-25(15)18)21-19(27)22-16-10-14(23-24-16)12-6-2-8-20-12/h1,4-5,10,12,15,20H,2-3,6-9H2,(H3,21,22,23,24,27)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM59089 (NSC625987) Show SMILES COc1ccc(OC)c2c1[nH]c1ccccc1c2=S Show InChI InChI=1S/C15H13NO2S/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16-14/h3-8H,1-2H3,(H,16,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair