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BDBM50137449 CHEMBL3753741

SMILES: CN(C)CCNC(=O)c1ccc(cc1N)-c1ccc(s1)-c1ccc2C(=O)OCc2c1

InChI Key: InChIKey=BRKHVDUFOBHDAS-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50137449   
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
Perforin-1


(Homo sapiens (Human))
BDBM50137449
PNG
(CHEMBL3753741)
Show SMILES CN(C)CCNC(=O)c1ccc(cc1N)-c1ccc(s1)-c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C23H23N3O3S/c1-26(2)10-9-25-22(27)18-6-4-15(12-19(18)24)21-8-7-20(30-21)14-3-5-17-16(11-14)13-29-23(17)28/h3-8,11-12H,9-10,13,24H2,1-2H3,(H,25,27)
NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant perforin (unknown origin) mediated lysis of human Jurkat cells pre-incubated for 30 mins with perforin followed by incubati...


Bioorg Med Chem Lett 26: 355-60 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.003
BindingDB Entry DOI: 10.7270/Q2B859ZN
More data for this
Ligand-Target Pair