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BDBM50179744 (S)-4-Methyl-2-[(S)-4-methyl-2-(2-10H-phenothiazin-2-yl-acetylamino)-p entanoylamino]-pentanoic acid ((S)-2-hydroxy-tetrahydro-furan-3-yl)-amide::CHEMBL206235

SMILES: CC(C)C[C@H](NC(=O)Cc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOC1O

InChI Key: InChIKey=HHNHYEDODWWQEY-XIIWGJLCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50179744   
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
Calpain 1/small subunit 1


(Homo sapiens-Homo sapiens (Human))
BDBM50179744
PNG
((S)-4-Methyl-2-[(S)-4-methyl-2-(2-10H-phenothiazin...)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C30H40N4O5S/c1-17(2)13-23(28(36)34-24(14-18(3)4)29(37)33-21-11-12-39-30(21)38)32-27(35)16-19-9-10-26-22(15-19)31-20-7-5-6-8-25(20)40-26/h5-10,15,17-18,21,23-24,30-31,38H,11-14,16H2,1-4H3,(H,32,35)(H,33,37)(H,34,36)/t21-,23-,24-,30?/m0/s1
PDB

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Similars

Article
PubMed
n/an/a 55.4n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibition of isolated human calpain1


Bioorg Med Chem Lett 16: 1586-9 (2006)

More data for this
Ligand-Target Pair