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BDBM50112958 CHEMBL281685::Phosphoric acid mono-(4-{(S)-2-acetylamino-2-[(4S,7S)-4-(cyclohexylmethyl-carbamoyl)-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)NCC1CCCCC1

InChI Key: InChIKey=FHJMWKJAUOYTQW-HJOGWXRNSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50112958   
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))		BDBM50112958
PNG
(CHEMBL281685 | Phosphoric acid mono-(4-{(S)-2-acet...)
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)NCC1CCCCC1
Show InChI InChI=1S/C28H40N5O9P/c1-18(34)30-23(16-19-9-11-21(12-10-19)42-43(39,40)41)26(36)31-22-13-14-25(35)32-15-5-8-24(33(32)28(22)38)27(37)29-17-20-6-3-2-4-7-20/h9-12,20,22-24H,2-8,13-17H2,1H3,(H,29,37)(H,30,34)(H,31,36)(H2,39,40,41)/t22-,23-,24-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
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Similars
PubMed
n/an/a 1.60E+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