Affinity Data by PDB ID

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PDB code 4JOA

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
ALK tyrosine kinase receptor (340/343 > 99%)^† (Homo sapiens (Human))	BDBM50439154 (CHEMBL2418761) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Ltd Curated by ChEMBL					Assay Description Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 4911-8 (2013) Article DOI: 10.1016/j.bmcl.2013.06.071 BindingDB Entry DOI: 10.7270/Q2BK1DS7
Aurigene Discovery Technologies Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (340/343 > 99%)^† (Homo sapiens (Human))	BDBM50439154 (CHEMBL2418761) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Ltd Curated by ChEMBL					Assay Description Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated ALK level after 6 hrs by Western blotting analysis				Bioorg Med Chem Lett 23: 4911-8 (2013) Article DOI: 10.1016/j.bmcl.2013.06.071 BindingDB Entry DOI: 10.7270/Q2BK1DS7
Aurigene Discovery Technologies Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (340/343 > 99%)^† (Homo sapiens (Human))	BDBM50439154 (CHEMBL2418761) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Ltd Curated by ChEMBL					Assay Description Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated Stat3 level after 6 hrs by Western blotting analysis				Bioorg Med Chem Lett 23: 4911-8 (2013) Article DOI: 10.1016/j.bmcl.2013.06.071 BindingDB Entry DOI: 10.7270/Q2BK1DS7
Aurigene Discovery Technologies Ltd 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