BindingDB logo
myBDB logout

BDBM50144818 2,3,5,6-Tetrafluoro-N-{4-[2-(4-sulfamoyl-phenyl)-ethylsulfamoyl]-phenyl}-benzamide::CHEMBL76626

SMILES: NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1

InChI Key: InChIKey=HFBOFILREKLDAP-UHFFFAOYSA-N

Data: 6 KI

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 6 hits for monomerid = 50144818   
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 9


(Homo sapiens (Human))
BDBM50144818
PNG
(2,3,5,6-Tetrafluoro-N-{4-[2-(4-sulfamoyl-phenyl)-e...)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1
Show InChI InChI=1S/C21H17F4N3O5S2/c22-16-11-17(23)20(25)18(19(16)24)21(29)28-13-3-7-15(8-4-13)35(32,33)27-10-9-12-1-5-14(6-2-12)34(26,30)31/h1-8,11,27H,9-10H2,(H,28,29)(H2,26,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX


Bioorg Med Chem Lett 14: 2351-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.095
BindingDB Entry DOI: 10.7270/Q2D21Z4S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144818
PNG
(2,3,5,6-Tetrafluoro-N-{4-[2-(4-sulfamoyl-phenyl)-e...)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1
Show InChI InChI=1S/C21H17F4N3O5S2/c22-16-11-17(23)20(25)18(19(16)24)21(29)28-13-3-7-15(8-4-13)35(32,33)27-10-9-12-1-5-14(6-2-12)34(26,30)31/h1-8,11,27H,9-10H2,(H,28,29)(H2,26,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144818
PNG
(2,3,5,6-Tetrafluoro-N-{4-[2-(4-sulfamoyl-phenyl)-e...)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1
Show InChI InChI=1S/C21H17F4N3O5S2/c22-16-11-17(23)20(25)18(19(16)24)21(29)28-13-3-7-15(8-4-13)35(32,33)27-10-9-12-1-5-14(6-2-12)34(26,30)31/h1-8,11,27H,9-10H2,(H,28,29)(H2,26,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 14: 2351-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.095
BindingDB Entry DOI: 10.7270/Q2D21Z4S
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50144818
PNG
(2,3,5,6-Tetrafluoro-N-{4-[2-(4-sulfamoyl-phenyl)-e...)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1
Show InChI InChI=1S/C21H17F4N3O5S2/c22-16-11-17(23)20(25)18(19(16)24)21(29)28-13-3-7-15(8-4-13)35(32,33)27-10-9-12-1-5-14(6-2-12)34(26,30)31/h1-8,11,27H,9-10H2,(H,28,29)(H2,26,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
49n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144818
PNG
(2,3,5,6-Tetrafluoro-N-{4-[2-(4-sulfamoyl-phenyl)-e...)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1
Show InChI InChI=1S/C21H17F4N3O5S2/c22-16-11-17(23)20(25)18(19(16)24)21(29)28-13-3-7-15(8-4-13)35(32,33)27-10-9-12-1-5-14(6-2-12)34(26,30)31/h1-8,11,27H,9-10H2,(H,28,29)(H2,26,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144818
PNG
(2,3,5,6-Tetrafluoro-N-{4-[2-(4-sulfamoyl-phenyl)-e...)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1
Show InChI InChI=1S/C21H17F4N3O5S2/c22-16-11-17(23)20(25)18(19(16)24)21(29)28-13-3-7-15(8-4-13)35(32,33)27-10-9-12-1-5-14(6-2-12)34(26,30)31/h1-8,11,27H,9-10H2,(H,28,29)(H2,26,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 14: 2351-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.095
BindingDB Entry DOI: 10.7270/Q2D21Z4S
More data for this
Ligand-Target Pair