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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 = 'BDBM50082331'   
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))		BDBM50082331
PNG
(CHEMBL320372 | Phosphoric acid mono-[4-(3-(2-methy...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)CS(=O)(=O)C(C)(C)C)c1nc(Cc2ccc(cc2)C(F)(F)F)no1
Show InChI InChI=1S/C26H31F3N3O8PS/c1-16(24-31-22(32-39-24)14-18-5-9-20(10-6-18)26(27,28)29)30-23(33)19(15-42(37,38)25(2,3)4)13-17-7-11-21(12-8-17)40-41(34,35)36/h5-12,16,19H,13-15H2,1-4H3,(H,30,33)(H2,34,35,36)/t16-,19+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.05E+5n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Affinity for Src protein tryrosine kinase

Bioorg Med Chem Lett 9: 3009-14 (1999)


BindingDB Entry DOI: 10.7270/Q2ZS2VQR
More data for this
Ligand-Target Pair