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BDBM50112425 CHEMBL24453::Phosphoric acid mono-(4-{2-acetylamino-2-[2-oxo-1-(4-propyl-benzyl)-azepan-3-ylcarbamoyl]-ethyl}-phenyl) ester

SMILES: CCCc1ccc(CN2CCCC[C@H](NC(=O)[C@H](Cc3ccc(OP(O)(O)=O)cc3)NC(C)=O)C2=O)cc1

InChI Key: InChIKey=HGFLNWGOEQHTGX-DQEYMECFSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50112425   
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))
BDBM50112425
PNG
(CHEMBL24453 | Phosphoric acid mono-(4-{2-acetylami...)
Show SMILES CCCc1ccc(CN2CCCC[C@H](NC(=O)[C@H](Cc3ccc(OP(O)(O)=O)cc3)NC(C)=O)C2=O)cc1
Show InChI InChI=1S/C27H36N3O7P/c1-3-6-20-8-10-22(11-9-20)18-30-16-5-4-7-24(27(30)33)29-26(32)25(28-19(2)31)17-21-12-14-23(15-13-21)37-38(34,35)36/h8-15,24-25H,3-7,16-18H2,1-2H3,(H,28,31)(H,29,32)(H2,34,35,36)/t24-,25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay


Bioorg Med Chem Lett 12: 1291-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00139-7
BindingDB Entry DOI: 10.7270/Q2DZ07MZ
More data for this
Ligand-Target Pair