Affinity Data by PDB ID

PDB code 2C6O

Identical Ligands in BindingDB

Found 10 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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cyclin-dependent kinase 2 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM50235342 (CHEMBL319467 \| NU-6102) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against angiotensin-converting enzyme				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
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 47: 3710-22 (2004) Article DOI: 10.1021/jm0311442 BindingDB Entry DOI: 10.7270/Q24J0C9Z
University of Newcastle					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5.40	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
University of Newcastle					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM50235342 (CHEMBL319467 \| NU-6102) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A (unknown origin)				J Med Chem 61: 9791-9810 (2018) Article DOI: 10.1021/acs.jmedchem.8b00185 BindingDB Entry DOI: 10.7270/Q2H41V3Q
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	7.5	30
University of Oxford					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 Â°C with substrate, and test compounds in the presence of 12.5 uM ATP/ [ga...				J Med Chem 49: 5470-7 (2006) Article DOI: 10.1021/jm060216x BindingDB Entry DOI: 10.7270/Q2TQ5ZS3
University of Oxford					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 [K89T] (297/298 > 99%)^† (Homo sapiens (Human))	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	7.5	30
University of Oxford					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 Â°C with substrate, and test compounds in the presence of 12.5 uM ATP/ [ga...				J Med Chem 49: 5470-7 (2006) Article DOI: 10.1021/jm060216x BindingDB Entry DOI: 10.7270/Q2TQ5ZS3
University of Oxford					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 [L83V,H84D] (296/298 > 99%)^† (Homo sapiens (Human))	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	7.5	30
University of Oxford					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 Â°C with substrate, and test compounds in the presence of 12.5 uM ATP/ [ga...				J Med Chem 49: 5470-7 (2006) Article DOI: 10.1021/jm060216x BindingDB Entry DOI: 10.7270/Q2TQ5ZS3
University of Oxford					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 [F82H] (297/298 > 99%)^† (Homo sapiens (Human))	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	7.5	30
University of Oxford					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 Â°C with substrate, and test compounds in the presence of 12.5 uM ATP/ [ga...				J Med Chem 49: 5470-7 (2006) Article DOI: 10.1021/jm060216x BindingDB Entry DOI: 10.7270/Q2TQ5ZS3
University of Oxford					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 [F82H,L83V,H84D] (295/298 = 99%)^† (Homo sapiens (Human))	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	7.5	30
University of Oxford					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 Â°C with substrate, and test compounds in the presence of 12.5 uM ATP/ [ga...				J Med Chem 49: 5470-7 (2006) Article DOI: 10.1021/jm060216x BindingDB Entry DOI: 10.7270/Q2TQ5ZS3
University of Oxford					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 [F82H,L83V,H84D,K98T] (294/298 = 99%)^† (Homo sapiens (Human))	BDBM5544 (4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.5	30
University of Oxford					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 Â°C with substrate, and test compounds in the presence of 12.5 uM ATP/ [ga...				J Med Chem 49: 5470-7 (2006) Article DOI: 10.1021/jm060216x BindingDB Entry DOI: 10.7270/Q2TQ5ZS3
University of Oxford					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output