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SMILES: COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)NCc2cccc3ccccc23)C(=O)C1NC(=O)c1cc2cc(OP(O)(=O)OCc3ccccc3)ccc2[nH]1

InChI Key: InChIKey=JUMCEANFVBLYLD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50103041   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50103041
PNG
(CHEMBL67608 | Phosphoric acid benzyl ester 2-(2-(4...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)NCc2cccc3ccccc23)C(=O)C1NC(=O)c1cc2cc(OP(O)(=O)OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C45H39N4O8PS/c1-55-34-20-18-31(19-21-34)43-42(48-44(51)38-25-33-24-35(22-23-37(33)47-38)57-58(53,54)56-28-29-10-3-2-4-11-29)45(52)49(39-16-7-8-17-40(39)59-43)27-41(50)46-26-32-14-9-13-30-12-5-6-15-36(30)32/h2-25,42-43,47H,26-28H2,1H3,(H,46,50)(H,48,51)(H,53,54)
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MMDB

KEGG

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Similars
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution

Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair