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BDBM50112970 CHEMBL30157::Phosphoric acid mono-(4-{(S)-2-acetylamino-2-[(4S,7S)-4-(2,2-dimethyl-propylcarbamoyl)-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)NCC(C)(C)C

InChI Key: InChIKey=GYJGKSXLFCKDHP-ACRUOGEOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50112970   
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))		BDBM50112970
PNG
(CHEMBL30157 | 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)NCC(C)(C)C
Show InChI InChI=1S/C26H38N5O9P/c1-16(32)28-20(14-17-7-9-18(10-8-17)40-41(37,38)39)23(34)29-19-11-12-22(33)30-13-5-6-21(31(30)25(19)36)24(35)27-15-26(2,3)4/h7-10,19-21H,5-6,11-15H2,1-4H3,(H,27,35)(H,28,32)(H,29,34)(H2,37,38,39)/t19-,20-,21-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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Similars
PubMed
n/an/a 1.80E+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