BindingDB logo
myBDB logout

BDBM50248167 2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide::2-(thiazol-4-yl)-1H-benzo[d]imidazole-5-sulfonamide::CHEMBL455271

SMILES: NS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cscn1

InChI Key: InChIKey=KGMVTZZDGKDTEU-UHFFFAOYSA-N

Data: 12 KI

PDB links: 1 PDB ID matches 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 12 hits for monomerid = 50248167   
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))
BDBM50248167
PNG
(2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamid...)
Show SMILES NS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cscn1
Show InChI InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
6.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 19: 1371-5 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50248167
PNG
(2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamid...)
Show SMILES NS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cscn1
Show InChI InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
17.8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 19: 1371-5 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50248167
PNG
(2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamid...)
Show SMILES NS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cscn1
Show InChI InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA6 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 19: 1371-5 (2009)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM50248167
PNG
(2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamid...)
Show SMILES NS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cscn1
Show InChI InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16)
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
40.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA5B by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 19: 1371-5 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM50248167
PNG
(2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamid...)
Show SMILES NS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cscn1
Show InChI InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
48.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA4 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 19: 1371-5 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50248167
PNG
(2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamid...)
Show SMILES NS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cscn1
Show InChI InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
50.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA1 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 19: 1371-5 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50248167
PNG
(2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamid...)
Show SMILES NS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cscn1
Show InChI InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
72.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA2 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 19: 1371-5 (2009)

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


(Homo sapiens (human))
BDBM50248167
PNG
(2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamid...)
Show SMILES NS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cscn1
Show InChI InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16)
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
72.7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA5A by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 19: 1371-5 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50248167
PNG
(2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamid...)
Show SMILES NS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cscn1
Show InChI InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
73.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA7 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 19: 1371-5 (2009)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50248167
PNG
(2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamid...)
Show SMILES NS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cscn1
Show InChI InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16)
PDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
424n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA14 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 19: 1371-5 (2009)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50248167
PNG
(2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamid...)
Show SMILES NS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cscn1
Show InChI InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
4.85E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant full length CA13 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 19: 1371-5 (2009)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (human))
BDBM50248167
PNG
(2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamid...)
Show SMILES NS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cscn1
Show InChI InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
3.45E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA3 expressed in Escherichia coli BL21 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 19: 1371-5 (2009)

More data for this
Ligand-Target Pair