Affinity Data by PDB ID

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PDB code 2VTA

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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cyclin-Dependent Kinase 2 (CDK2) (298/298 = 100%)^† (Homo sapiens (Human))	BDBM24627 (1H-indazole \| Indazole, 5 \| Indazole, 6) Show SMILES c1n[nH]c2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	1.85E+5	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....				J Med Chem 51: 4986-99 (2008) Article DOI: 10.1021/jm800382h BindingDB Entry DOI: 10.7270/Q24X563W
Astex					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM24627 (1H-indazole \| Indazole, 5 \| Indazole, 6) Show SMILES c1n[nH]c2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	1.85E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CDK2				J Med Chem 54: 5131-43 (2011) Article DOI: 10.1021/jm200349b BindingDB Entry DOI: 10.7270/Q2F47PHP
GlaxoSmithKline R&D Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
CDK2/Cyclin A/Cyclin A1 (298/298 = 100%)^† (Homo sapiens (Human))	BDBM24627 (1H-indazole \| Indazole, 5 \| Indazole, 6) Show SMILES c1n[nH]c2ccccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	1.85E+5	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A (unknown origin) by radiometric filter binding assay				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)

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