Identical Ligands in BindingDB

Found 5 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   (298/298 = 100%)† (Homo sapiens (Human))	BDBM5566 (2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...) Show SMILES Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1 Show InChI InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (IUBO-AG) Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 21: 6641-5 (2011) Article DOI: 10.1016/j.bmcl.2011.09.069 BindingDB Entry DOI: 10.7270/Q22B8ZDP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM5566 (2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...) Show SMILES Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1 Show InChI InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.30E+3	-34.2	n/a	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 43: 2797-804 (2000) Article DOI: 10.1021/jm990628o BindingDB Entry DOI: 10.7270/Q20R9MKP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM5566 (2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...) Show SMILES Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1 Show InChI InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK2/cyclinA (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-013-0571-y BindingDB Entry DOI: 10.7270/Q2Q2434C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM5566 (2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...) Show SMILES Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1 Show InChI InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 43: 2797-804 (2000) Article DOI: 10.1021/jm990628o BindingDB Entry DOI: 10.7270/Q20R9MKP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM5566 (2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...) Show SMILES Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1 Show InChI InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				Bioorg Med Chem Lett 13: 3079-82 (2003) Article DOI: 10.1016/s0960-894x(03)00651-6 BindingDB Entry DOI: 10.7270/Q2R78CDT
					More data for this Ligand-Target Pair				3D Structure (crystal)

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