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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase ROS' and Ligand = 'BDBM50525834'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))		BDBM50525834
PNG
(CHEMBL4448400)
Show SMILES COc1cc(NC(=O)N2CCCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1
Show InChI InChI=1S/C24H26ClN7O3/c1-15(33)27-18-7-3-4-8-19(18)29-22-17(25)14-26-23(31-22)30-20-10-9-16(13-21(20)35-2)28-24(34)32-11-5-6-12-32/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3,(H,27,33)(H,28,34)(H2,26,29,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.970n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged ROS (1883 to 2347 residues) cytoplasmic domain expressed in baculovirus expression system using...

Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115051
BindingDB Entry DOI: 10.7270/Q2XP78CS
More data for this
Ligand-Target Pair