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BDBM12018 2,5-difluoro-SBB::4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]- BENZAMIDE::N-[(2,5-difluorophenyl)methyl]-4-sulfamoylbenzamide

InChI string: InChI=1S/C14H12F2N2O3S/c15-11-3-6-13(16)10(7-11)8-18-14(19)9-1-4-12(5-2-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)

SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cc(F)ccc1F

InChI Key: InChIKey=KEGUALXMKQVDIO-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 1 PDB ID matches this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 12018   
Target
(Institution)
LigandTarget
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 II Mutant (F131V)


(Homo sapiens (human))
BDBM12018
PNG
(2,5-difluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,5-DIFLU...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cc(F)ccc1F
Show InChI InChI=1S/C14H12F2N2O3S/c15-11-3-6-13(16)10(7-11)8-18-14(19)9-1-4-12(5-2-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
PubMed
n/an/an/a 2.20n/an/an/a7.437



University of Pennsylvania



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


J Am Chem Soc 123: 9620-7 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)