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BDBM50234744 CHEMBL4101070

SMILES: C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=DDTXJCHBNPVFCG-JXFKEZNVSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50234744   
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
Acid ceramidase (AC)


(Homo sapiens (Human))
BDBM50234744
PNG
(CHEMBL4101070)
Show SMILES C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H32N2O6S/c1-16-20(23-22(26)29-15-7-6-10-17-8-4-3-5-9-17)21(25)24(16)30-18-11-13-19(14-12-18)31(2,27)28/h11-14,16-17,20H,3-10,15H2,1-2H3,(H,23,26)/t16-,20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.02E+3n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl]dodecanamid...


Eur J Med Chem 126: 561-575 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.039
BindingDB Entry DOI: 10.7270/Q25H7JHB
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50234744
PNG
(CHEMBL4101070)
Show SMILES C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H32N2O6S/c1-16-20(23-22(26)29-15-7-6-10-17-8-4-3-5-9-17)21(25)24(16)30-18-11-13-19(14-12-18)31(2,27)28/h11-14,16-17,20H,3-10,15H2,1-2H3,(H,23,26)/t16-,20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human spleen NAAA expressed in HEK293 cells using PAMCA as substrate preincubated for 10 mins followed by substrate additio...


Eur J Med Chem 126: 561-575 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.039
BindingDB Entry DOI: 10.7270/Q25H7JHB
More data for this
Ligand-Target Pair