Affinity Data by PDB ID

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PDB code 5FTO

Identical Ligands in BindingDB

Found 6 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 (314/314 = 100%)^† (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 \| US9029356, 11 \| US925508...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin)				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
Nerviano Medical Sciences Srl Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (314/314 = 100%)^† (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 \| US9029356, 11 \| US925508...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP				J Med Chem 59: 3392-408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG
Nerviano Medical Sciences Srl Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (314/314 = 100%)^† (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 \| US9029356, 11 \| US925508...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid PDB UniChem Similars	PDB Article US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Kinase Buffer (KB) for ALKKinase buffer was composed of 50 mM HEPES pH 7.5 containing 1 mM MnCl2, mM MgCl2, 1 mM DTT, 3 microM Na3VO4, and 0.2 mg/mL ...				US Patent US9616059 (2017) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q2TT4T0S
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (314/314 = 100%)^† (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 \| US9029356, 11 \| US925508...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	7.5	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description ALK enzyme needs pre-activation in order to linearize reaction kinetics.Kinase Buffer (KB) for ALKKinase buffer was composed of 50 mM HEPES pH 7.5 co...				US Patent US9029356 (2015) BindingDB Entry DOI: 10.7270/Q29C6W5G
Nerviano Medical Sciences S.R.L. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (314/314 = 100%)^† (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 \| US9029356, 11 \| US925508...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description ALK enzyme needs pre-activation in order to linearize reaction kinetics.i. Kinase Buffer (KB) for ALK.Kinase buffer was composed of 50 mM HEPES pH 7....				US Patent US10081622 (2018) BindingDB Entry DOI: 10.7270/Q2833V2H
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (314/314 = 100%)^† (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 \| US9029356, 11 \| US925508...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	7.5	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description BioKinase buffer was composed of 50 mM HEPES pH 7.5 containing 1 mM MnCl2, 5 mM MgCl2, 1 mM DTT, 3 microM Na3VO4, and 0.2 mg/mL BSA. 3x KB is buffer ...				US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					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