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BDBM50112971 CHEMBL418027::Phosphoric acid mono-(4-{(S)-2-acetylamino-2-[(4S,7S)-4-((R)-2-methyl-butylcarbamoyl)-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepin-7-ylcarbamoyl]-ethyl}-phenyl) ester

SMILES: CC[C@@H](C)CNC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O

InChI Key: InChIKey=SYDLBIZKWQCNRO-SEPFQZFQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50112971   
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))		BDBM50112971
PNG
(CHEMBL418027 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC[C@@H](C)CNC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C26H38N5O9P/c1-4-16(2)15-27-25(35)22-6-5-13-30-23(33)12-11-20(26(36)31(22)30)29-24(34)21(28-17(3)32)14-18-7-9-19(10-8-18)40-41(37,38)39/h7-10,16,20-22H,4-6,11-15H2,1-3H3,(H,27,35)(H,28,32)(H,29,34)(H2,37,38,39)/t16-,20+,21+,22+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
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Similars
PubMed
n/an/a 1.20E+3n/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