Affinity Data by PDB ID

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PDB code 3TIY

Identical Ligands in BindingDB

Found 2 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
CDK2/Cyclin A/Cyclin A1 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM50088360 (2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one \| 2,...) Show SMILES Oc1cc2cccc(O)c(=O)c2c(O)c1O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Competitive inhibition of human CDK2/cyclinA using PKTPKKAKKL as substrate in presence of ATP				Bioorg Med Chem Lett 25: 3420-35 (2015) Article DOI: 10.1016/j.bmcl.2015.05.100 BindingDB Entry DOI: 10.7270/Q2736SQ1
Eli Lilly and Company Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM50088360 (2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one \| 2,...) Show SMILES Oc1cc2cccc(O)c(=O)c2c(O)c1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center and Research Institute					Assay Description The inhibitory against activated CDK2-cyclin A2 complex was determined by using the ADP Quest fluorescence assay from (DiscoveRX, Fremont, CA)				Chembiochem 13: 2128-36 (2012) Article DOI: 10.1002/cbic.201200316 BindingDB Entry DOI: 10.7270/Q2154FN2
Moffitt Cancer Center and Research Institute					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