BindingDB logo
myBDB logout

null

SMILES: COc1ccc2cc(n(C)c2c1)S(N)(=O)=O

InChI Key: InChIKey=OWXSJPJWTHCRRH-UHFFFAOYSA-N

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 = 50406326   
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 2


(Homo sapiens (Human))		BDBM50406326
PNG
(CHEMBL164438)
Show SMILES COc1ccc2cc(n(C)c2c1)S(N)(=O)=O
Show InChI InChI=1S/C10H12N2O3S/c1-12-9-6-8(15-2)4-3-7(9)5-10(12)16(11,13)14/h3-6H,1-2H3,(H2,11,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 110n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM).

J Med Chem 33: 749-54 (1990)


BindingDB Entry DOI: 10.7270/Q2K075GW
More data for this
Ligand-Target Pair