Affinity Data by PubMed id=10956187

PubMed code 10956187

Found 18 hits of 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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5566 (2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...) Show SMILES Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1 Show InChI	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
University of Newcastle					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5566 (2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...) Show SMILES Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.50E+3	-32.5	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
University of Newcastle					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5485 (6-(cyclohexylmethoxy)-9H-purin-2-amine \| CHEMBL269...) Show SMILES Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.00E+3	-30.8	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
University of Newcastle					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5485 (6-(cyclohexylmethoxy)-9H-purin-2-amine \| CHEMBL269...) Show SMILES Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.20E+4	-28.6	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
University of Newcastle					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5566 (2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...) Show SMILES Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1 Show InChI	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
University of Newcastle					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5566 (2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...) Show SMILES Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+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
University of Newcastle					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5570 (6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine...) Show SMILES CC(C)CCOc1nc(N)nc(N)c1N=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	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
University of Newcastle					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5564 (6-(cyclohexylmethoxy)-9H-purine \| NU2017 \| O6-cycl...) Show SMILES C(Oc1ncnc2nc[nH]c12)C1CCCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	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
University of Newcastle					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5570 (6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine...) Show SMILES CC(C)CCOc1nc(N)nc(N)c1N=O Show InChI	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	1.30E+4	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
University of Newcastle					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5564 (6-(cyclohexylmethoxy)-9H-purine \| NU2017 \| O6-cycl...) Show SMILES C(Oc1ncnc2nc[nH]c12)C1CCCCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	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
University of Newcastle					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5565 (6-(cyclohexylmethoxy)-9-methyl-9H-purin-2-amine \| ...) Show SMILES Cn1cnc2c(OCC3CCCCC3)nc(N)nc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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
University of Newcastle					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5565 (6-(cyclohexylmethoxy)-9-methyl-9H-purin-2-amine \| ...) Show SMILES Cn1cnc2c(OCC3CCCCC3)nc(N)nc12 Show InChI	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	>1.00E+5	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
University of Newcastle					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5574 (6-(cyclohexylmethoxy)pyrimidine-2,4-diamine \| NU60...) Show SMILES Nc1cc(OCC2CCCCC2)nc(N)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	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
University of Newcastle					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5569 (6-(heptyloxy)-5-nitrosopyrimidine-2,4-diamine \| py...) Show SMILES CCCCCCCOc1nc(N)nc(N)c1N=O Show InChI	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	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
University of Newcastle					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5568 (5-nitroso-6-(pentyloxy)pyrimidine-2,4-diamine \| py...) Show SMILES CCCCCOc1nc(N)nc(N)c1N=O Show InChI	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	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
University of Newcastle					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5569 (6-(heptyloxy)-5-nitrosopyrimidine-2,4-diamine \| py...) Show SMILES CCCCCCCOc1nc(N)nc(N)c1N=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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
University of Newcastle					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5568 (5-nitroso-6-(pentyloxy)pyrimidine-2,4-diamine \| py...) Show SMILES CCCCCOc1nc(N)nc(N)c1N=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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
University of Newcastle					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5574 (6-(cyclohexylmethoxy)pyrimidine-2,4-diamine \| NU60...) Show SMILES Nc1cc(OCC2CCCCC2)nc(N)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	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
University of Newcastle					More data for this Ligand-Target Pair

* indicates data uncertainty>20%