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BDBM12020 2,3,4-trifluoro-SBB::4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]- BENZAMIDE::4-sulfamoyl-N-[(2,3,4-trifluorophenyl)methyl]benzamide::CHEMBL66907

SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(F)c(F)c1F

InChI Key: InChIKey=AANTYZRUJFNZFI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 12020   
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 2


(Homo sapiens (human))
BDBM12020
PNG
(2,3,4-trifluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,3,4-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(F)c(F)c1F
Show InChI InChI=1S/C14H11F3N2O3S/c15-11-6-3-9(12(16)13(11)17)7-19-14(20)8-1-4-10(5-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PDB
Article
PubMed
n/an/an/a 2.30n/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Dissociation constant against human Carbonic anhydrase II (HCA II)


J Med Chem 37: 2100-5 (1994)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase II Mutant (F131V)


(Homo sapiens (human))
BDBM12020
PNG
(2,3,4-trifluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,3,4-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(F)c(F)c1F
Show InChI InChI=1S/C14H11F3N2O3S/c15-11-6-3-9(12(16)13(11)17)7-19-14(20)8-1-4-10(5-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)
PDB
MMDB

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

Similars

AffyNet 
PDB
PubMed
n/an/an/a 3.80n/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...


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