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BDBM50496627 CHEMBL3133032

SMILES: CN(C)CCOB(c1ccccc1)c1ccc(COCc2ccc(cc2)B(OCCN(C)C)c2ccccc2)cc1

InChI Key: InChIKey=DTCLGBKBZSVSLS-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50496627   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acyl-protein thioesterase 2


(Homo sapiens (Human))
BDBM50496627
PNG
(CHEMBL3133032)
Show SMILES CN(C)CCOB(c1ccccc1)c1ccc(COCc2ccc(cc2)B(OCCN(C)C)c2ccccc2)cc1
Show InChI InChI=1S/C34H42B2N2O3/c1-37(2)23-25-40-35(31-11-7-5-8-12-31)33-19-15-29(16-20-33)27-39-28-30-17-21-34(22-18-30)36(41-26-24-38(3)4)32-13-9-6-10-14-32/h5-22H,23-28H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
730n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of APT2 (unknown origin) by enzyme kinetic assay


Medchemcomm 5: 268-276 (2014)


Article DOI: 10.1039/c3md00333g
BindingDB Entry DOI: 10.7270/Q2TX3JBM
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Homo sapiens (Human))
BDBM50496627
PNG
(CHEMBL3133032)
Show SMILES CN(C)CCOB(c1ccccc1)c1ccc(COCc2ccc(cc2)B(OCCN(C)C)c2ccccc2)cc1
Show InChI InChI=1S/C34H42B2N2O3/c1-37(2)23-25-40-35(31-11-7-5-8-12-31)33-19-15-29(16-20-33)27-39-28-30-17-21-34(22-18-30)36(41-26-24-38(3)4)32-13-9-6-10-14-32/h5-22H,23-28H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
990n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of APT1 (unknown origin) by enzyme kinetic assay


Medchemcomm 5: 268-276 (2014)


Article DOI: 10.1039/c3md00333g
BindingDB Entry DOI: 10.7270/Q2TX3JBM
More data for this
Ligand-Target Pair