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BDBM50112959 CHEMBL29298::Phosphoric acid mono-(4-{(S)-2-acetylamino-2-[(4S,7S)-4-(4-chloro-benzylcarbamoyl)-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepin-7-ylcarbamoyl]-ethyl}-phenyl) ester

SMILES: CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)NCc1ccc(Cl)cc1

InChI Key: InChIKey=DVKKBIFVWBEZOS-HJOGWXRNSA-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 = 50112959   
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))		BDBM50112959
PNG
(CHEMBL29298 | Phosphoric acid mono-(4-{(S)-2-acety...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C28H33ClN5O9P/c1-17(35)31-23(15-18-6-10-21(11-7-18)43-44(40,41)42)26(37)32-22-12-13-25(36)33-14-2-3-24(34(33)28(22)39)27(38)30-16-19-4-8-20(29)9-5-19/h4-11,22-24H,2-3,12-16H2,1H3,(H,30,38)(H,31,35)(H,32,37)(H2,40,41,42)/t22-,23-,24-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PubMed
n/an/a 400n/an/an/an/an/an/a



Roche Products Limited

Curated by ChEMBL


Assay Description
Inhibitory activity towards p56 Lck tyrosine kinase SH2 domain using scintillation proximity assay (SPA)

Bioorg Med Chem Lett 12: 1365-9 (2002)


BindingDB Entry DOI: 10.7270/Q20002MH
More data for this
Ligand-Target Pair