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BIS(2-ETHYLHEXYL)PHTHALATE

SMILES: CCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@H](CC)CCCC

InChI Key: InChIKey=BJQHLKABXJIVAM-BGYRXZFFSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match
png missing

Other Databases links: CHEBI PubChem cid PubChem sid ZINC 0

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50371947    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin B


(Mus musculus)
BIS(2-ETHYLHEXYL)PHTHALATE
PNG
Show SMILES CCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@H](CC)CCCC
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
ChEBI
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 140000.0n/an/an/an/an/an/a



Pukyong National University

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B in mouse B16F10 cells


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens)
BIS(2-ETHYLHEXYL)PHTHALATE
PNG
Show SMILES CCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@H](CC)CCCC
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
ChEBI
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 380000.0n/an/an/an/an/an/a



Pukyong National University

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B


Citation and Details
More data for this
Ligand-Target Pair