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BDBM50074262 CHEMBL348834::Phosphoric acid mono-(4-{(S)-2-acetylamino-2-[(S)-3-methyl-1-((R)-1-p-tolyl-ethylcarbamoyl)-butylcarbamoyl]-ethyl}-phenyl) ester

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@H](C)c1ccc(C)cc1

InChI Key: InChIKey=XTQUKFXJZPRDGD-DKLXNKCPSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50074262   
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))		BDBM50074262
PNG
(CHEMBL348834 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@H](C)c1ccc(C)cc1
Show InChI InChI=1S/C26H36N3O7P/c1-16(2)14-23(25(31)27-18(4)21-10-6-17(3)7-11-21)29-26(32)24(28-19(5)30)15-20-8-12-22(13-9-20)36-37(33,34)35/h6-13,16,18,23-24H,14-15H2,1-5H3,(H,27,31)(H,28,30)(H,29,32)(H2,33,34,35)/t18-,23+,24+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
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Similars
Article
PubMed
n/an/an/a 2.70E+4n/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