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BDBM50084595 2,6-Diisopropyl-4-phenyl-1-[(2-sulfamoyl-benzothiazol-6-ylcarbamoyl)-methyl]-pyridinium; perchlorate::CHEMBL420105

SMILES: CC(C)c1cc(cc(C(C)C)[n+]1CC(=O)Nc1ccc2nc(sc2c1)S(N)(=O)=O)-c1ccccc1

InChI Key: InChIKey=VNWPVBNZAZUCPR-UHFFFAOYSA-O

Data: 3 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 3 hits for monomerid = 50084595   
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 2


(Homo sapiens (Human))
BDBM50084595
PNG
(2,6-Diisopropyl-4-phenyl-1-[(2-sulfamoyl-benzothia...)
Show SMILES CC(C)c1cc(cc(C(C)C)[n+]1CC(=O)Nc1ccc2nc(sc2c1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C26H28N4O3S2/c1-16(2)22-12-19(18-8-6-5-7-9-18)13-23(17(3)4)30(22)15-25(31)28-20-10-11-21-24(14-20)34-26(29-21)35(27,32)33/h5-14,16-17H,15H2,1-4H3,(H2-,27,28,31,32,33)/p+1
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PC cid
PC sid
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Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II (CA2)


J Med Chem 43: 292-300 (2000)


Article DOI: 10.1021/jm990479+
BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50084595
PNG
(2,6-Diisopropyl-4-phenyl-1-[(2-sulfamoyl-benzothia...)
Show SMILES CC(C)c1cc(cc(C(C)C)[n+]1CC(=O)Nc1ccc2nc(sc2c1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C26H28N4O3S2/c1-16(2)22-12-19(18-8-6-5-7-9-18)13-23(17(3)4)30(22)15-25(31)28-20-10-11-21-24(14-20)34-26(29-21)35(27,32)33/h5-14,16-17H,15H2,1-4H3,(H2-,27,28,31,32,33)/p+1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I (CA1)


J Med Chem 43: 292-300 (2000)


Article DOI: 10.1021/jm990479+
BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50084595
PNG
(2,6-Diisopropyl-4-phenyl-1-[(2-sulfamoyl-benzothia...)
Show SMILES CC(C)c1cc(cc(C(C)C)[n+]1CC(=O)Nc1ccc2nc(sc2c1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C26H28N4O3S2/c1-16(2)22-12-19(18-8-6-5-7-9-18)13-23(17(3)4)30(22)15-25(31)28-20-10-11-21-24(14-20)34-26(29-21)35(27,32)33/h5-14,16-17H,15H2,1-4H3,(H2-,27,28,31,32,33)/p+1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
38n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 43: 292-300 (2000)


Article DOI: 10.1021/jm990479+
BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair