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BDBM50074252 CHEMBL435654::Phosphoric acid mono-(4-{(S)-2-acetylamino-2-[(S)-1-(3-methoxy-benzylcarbamoyl)-3-methyl-butylcarbamoyl]-ethyl}-phenyl) ester

SMILES: COc1cccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)c1

InChI Key: InChIKey=ONRHZRWRNIEEMQ-GOTSBHOMSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50074252   
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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50074252
PNG
(CHEMBL435654 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES COc1cccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)c1
Show InChI InChI=1S/C25H34N3O8P/c1-16(2)12-22(24(30)26-15-19-6-5-7-21(13-19)35-4)28-25(31)23(27-17(3)29)14-18-8-10-20(11-9-18)36-37(32,33)34/h5-11,13,16,22-23H,12,14-15H2,1-4H3,(H,26,30)(H,27,29)(H,28,31)(H2,32,33,34)/t22-,23-/m0/s1
PDB

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UniProtKB/TrEMBL

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Similars
Article
PubMed
n/an/an/a 9.00E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein

J Med Chem 42: 722-9 (1999)


Article DOI: 10.1021/jm980612i
BindingDB Entry DOI: 10.7270/Q2Q23ZDX
More data for this
Ligand-Target Pair