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BDBM193812 N-(4-(bis(5-chloro-1H-indol-3-yl)methyl)phenyl)-2,4-dinitrobenzenesulfonamide (5g)

SMILES: [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12

InChI Key: InChIKey=YWTAXMWYLMGBLG-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 193812   
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
Carbonic anhydrase


(Bos taurus)		BDBM193812
PNG
(N-(4-(bis(5-chloro-1H-indol-3-yl)methyl)phenyl)-2,...)
Show SMILES [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C29H19Cl2N5O6S/c30-17-3-8-25-21(11-17)23(14-32-25)29(24-15-33-26-9-4-18(31)12-22(24)26)16-1-5-19(6-2-16)34-43(41,42)28-10-7-20(35(37)38)13-27(28)36(39)40/h1-15,29,32-34H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.56E+4n/an/an/an/a7.2n/a



Universiti Teknologi MARA (UiTM)



Assay Description
This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...

Bioorg Chem 68: 90-104 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.011
BindingDB Entry DOI: 10.7270/Q2CJ8C95
More data for this
Ligand-Target Pair