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BDBM50105249 6,7-Dichloro-2-methyl-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e][1,2]thiazine-3-carboxylic acid (1-benzyl-2-oxo-ethyl)-amide::CHEMBL421043

SMILES: CN1C(=Cc2cc(Cl)c(Cl)cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O

InChI Key: InChIKey=REPJVBPQOCSAEZ-AWEZNQCLSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50105249   
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
Calpain1


(Homo sapiens (Human))
BDBM50105249
PNG
(6,7-Dichloro-2-methyl-1,1-dioxo-1,2-dihydro-1lambd...)
Show SMILES CN1C(=Cc2cc(Cl)c(Cl)cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O |c:2|
Show InChI InChI=1S/C19H16Cl2N2O4S/c1-23-17(9-13-8-15(20)16(21)10-18(13)28(23,26)27)19(25)22-14(11-24)7-12-5-3-2-4-6-12/h2-6,8-11,14H,7H2,1H3,(H,22,25)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line)


J Med Chem 44: 3488-503 (2001)


BindingDB Entry DOI: 10.7270/Q2G44PKR
More data for this
Ligand-Target Pair
Calpain1


(Homo sapiens (Human))
BDBM50105249
PNG
(6,7-Dichloro-2-methyl-1,1-dioxo-1,2-dihydro-1lambd...)
Show SMILES CN1C(=Cc2cc(Cl)c(Cl)cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O |c:2|
Show InChI InChI=1S/C19H16Cl2N2O4S/c1-23-17(9-13-8-15(20)16(21)10-18(13)28(23,26)27)19(25)22-14(11-24)7-12-5-3-2-4-6-12/h2-6,8-11,14H,7H2,1H3,(H,22,25)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 15n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity towards human calpain I


J Med Chem 44: 3488-503 (2001)


BindingDB Entry DOI: 10.7270/Q2G44PKR
More data for this
Ligand-Target Pair