BindingDB logo
myBDB logout

BDBM50539731 CHEMBL4643312

SMILES: [H][C@]12CC[C@]([H])(C[C@H](C1)Oc1ccc(CCCC)cc1)N2CS(=O)(=O)c1c(C)n[nH]c1C

InChI Key: InChIKey=BTIKTKQHKFJLMY-VTYHHJSWSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50539731   
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
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50539731
PNG
(CHEMBL4643312)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)Oc1ccc(CCCC)cc1)N2CS(=O)(=O)c1c(C)n[nH]c1C |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C23H33N3O3S/c1-4-5-6-18-7-11-21(12-8-18)29-22-13-19-9-10-20(14-22)26(19)15-30(27,28)23-16(2)24-25-17(23)3/h7-8,11-12,19-20,22H,4-6,9-10,13-15H2,1-3H3,(H,24,25)/t19-,20+,22-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 23n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human NAAA


J Med Chem 63: 7475-7490 (2020)

More data for this
Ligand-Target Pair