BindingDB logo
myBDB logout

null

SMILES: Cn1cccc1C(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O

InChI Key: InChIKey=MQTOMHYOLPSGGO-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 = 50405841   
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))		BDBM50405841
PNG
(CHEMBL84224)
Show SMILES Cn1cccc1C(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C13H11N3O4S2/c1-16-6-2-3-10(16)12(17)20-8-4-5-9-11(7-8)21-13(15-9)22(14,18)19/h2-7H,1H3,(H2,14,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratory

Curated by ChEMBL


Assay Description
In vitro inhibition of human Carbonic Anhydrase II

J Med Chem 32: 2486-92 (1989)


BindingDB Entry DOI: 10.7270/Q27P90KQ
More data for this
Ligand-Target Pair