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BDBM50329835 5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide::CHEMBL1271638

SMILES: NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccc(Br)cc2[nH]1

InChI Key: InChIKey=ABLVCEKUEJSYQL-UHFFFAOYSA-N

Data: 6 Kd

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 = 50329835   
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 1


(Homo sapiens (human))
BDBM50329835
PNG
(5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C15H11BrClN3O3S2/c16-9-2-4-11-12(6-9)20-15(19-11)24-7-13(21)8-1-3-10(17)14(5-8)25(18,22)23/h1-6H,7H2,(H,19,20)(H2,18,22,23)
PDB
MMDB

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PC cid
PC sid
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AffyNet 
Article
PubMed
n/an/an/a 1.30E+3n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50329835
PNG
(5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C15H11BrClN3O3S2/c16-9-2-4-11-12(6-9)20-15(19-11)24-7-13(21)8-1-3-10(17)14(5-8)25(18,22)23/h1-6H,7H2,(H,19,20)(H2,18,22,23)
PDB
MMDB

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UniChem

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AffyNet 
Article
PubMed
n/an/an/a 60n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50329835
PNG
(5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C15H11BrClN3O3S2/c16-9-2-4-11-12(6-9)20-15(19-11)24-7-13(21)8-1-3-10(17)14(5-8)25(18,22)23/h1-6H,7H2,(H,19,20)(H2,18,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 200n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by isothermal titration calorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50329835
PNG
(5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C15H11BrClN3O3S2/c16-9-2-4-11-12(6-9)20-15(19-11)24-7-13(21)8-1-3-10(17)14(5-8)25(18,22)23/h1-6H,7H2,(H,19,20)(H2,18,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 100n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50329835
PNG
(5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C15H11BrClN3O3S2/c16-9-2-4-11-12(6-9)20-15(19-11)24-7-13(21)8-1-3-10(17)14(5-8)25(18,22)23/h1-6H,7H2,(H,19,20)(H2,18,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 1.40E+3n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by isothermal titration calorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50329835
PNG
(5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C15H11BrClN3O3S2/c16-9-2-4-11-12(6-9)20-15(19-11)24-7-13(21)8-1-3-10(17)14(5-8)25(18,22)23/h1-6H,7H2,(H,19,20)(H2,18,22,23)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/an/a 100n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay


Citation and Details
More data for this
Ligand-Target Pair