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BDBM50101947 4-Chloro-3-nitro-N,N-dipentyl-benzenesulfonamide::CHEMBL52632

SMILES: CCCCCN(CCCCC)S(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O

InChI Key: InChIKey=HMBMWEPLDCEHPO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101947   
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
VCAM-1


(Homo sapiens (Human))
BDBM50101947
PNG
(4-Chloro-3-nitro-N,N-dipentyl-benzenesulfonamide |...)
Show SMILES CCCCCN(CCCCC)S(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H25ClN2O4S/c1-3-5-7-11-18(12-8-6-4-2)24(22,23)14-9-10-15(17)16(13-14)19(20)21/h9-10,13H,3-8,11-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit expression of Vascular cell adhesion molecule 1


Bioorg Med Chem Lett 11: 1823-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00306-7
BindingDB Entry DOI: 10.7270/Q2MC8Z86
More data for this
Ligand-Target Pair