Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   

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   (298/298 = 100%)† (Homo sapiens (Human))	BDBM8049 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 20 | 4...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-5-3-11(4-6-12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	290	-37.9	n/a	n/a	n/a	n/a	n/a	7.4	30
Cyclacel Limited					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...				J Med Chem 47: 1662-75 (2004) Article DOI: 10.1021/jm0309957 BindingDB Entry DOI: 10.7270/Q2H993DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM8049 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 20 | 4...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-5-3-11(4-6-12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd					Assay Description In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.				Chem Biol 13: 201-11 (2006) Article DOI: 10.1016/j.chembiol.2005.11.011 BindingDB Entry DOI: 10.7270/Q2542M16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM8049 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 20 | 4...) Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-5-3-11(4-6-12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd					Assay Description In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.				Chem Biol 13: 201-11 (2006) Article DOI: 10.1016/j.chembiol.2005.11.011 BindingDB Entry DOI: 10.7270/Q2542M16
					More data for this Ligand-Target Pair				3D Structure (crystal)

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