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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 Src' and Ligand = 'BDBM50238533'   
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 Src


(Homo sapiens (Human))		BDBM50238533
PNG
(CHEMBL4060917)
Show SMILES CSc1nc(N(C(=O)OC(CN2CCN(C)CC2)Cc2ccccc2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
Show InChI InChI=1S/C36H40BrN7O2S/c1-26(28-13-8-5-9-14-28)24-43-33-32(23-38-43)34(40-35(39-33)47-3)44(30-16-10-15-29(37)22-30)36(45)46-31(21-27-11-6-4-7-12-27)25-42-19-17-41(2)18-20-42/h4-16,22-23,26,31H,17-21,24-25H2,1-3H3
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PC cid
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Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human wild type full length N-terminal GST/6His-tagged SRC (M1 to L536 residues) expressed in baculovirus infected Sf9 cells using src ...

J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair