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BDBM50084554 2,6-Diisopropyl-1-{[4-(3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-2-ylidenesulfamoyl)-phenylcarbamoyl]-methyl}-4-phenyl-pyridinium; perchlorate::CHEMBL97795

SMILES: CC(C)c1cc(cc(C(C)C)[n+]1CC(=O)Nc1ccc(cc1)S(=O)(=O)\N=c1\sc(nn1C)S(N)(=O)=O)-c1ccccc1

InChI Key: InChIKey=KCQUSTRLBHEXNM-QVAGMWBUSA-O

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50084554   
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))
BDBM50084554
PNG
(2,6-Diisopropyl-1-{[4-(3-methyl-5-sulfamoyl-3H-[1,...)
Show SMILES CC(C)c1cc(cc(C(C)C)[n+]1CC(=O)Nc1ccc(cc1)S(=O)(=O)\N=c1\sc(nn1C)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C28H32N6O5S3/c1-18(2)24-15-21(20-9-7-6-8-10-20)16-25(19(3)4)34(24)17-26(35)30-22-11-13-23(14-12-22)42(38,39)32-27-33(5)31-28(40-27)41(29,36)37/h6-16,18-19H,17H2,1-5H3,(H2-,29,30,35,36,37)/p+1/b32-27+
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Article
PubMed
4n/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 IV


(Bos taurus (bovine))
BDBM50084554
PNG
(2,6-Diisopropyl-1-{[4-(3-methyl-5-sulfamoyl-3H-[1,...)
Show SMILES CC(C)c1cc(cc(C(C)C)[n+]1CC(=O)Nc1ccc(cc1)S(=O)(=O)\N=c1\sc(nn1C)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C28H32N6O5S3/c1-18(2)24-15-21(20-9-7-6-8-10-20)16-25(19(3)4)34(24)17-26(35)30-22-11-13-23(14-12-22)42(38,39)32-27-33(5)31-28(40-27)41(29,36)37/h6-16,18-19H,17H2,1-5H3,(H2-,29,30,35,36,37)/p+1/b32-27+
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UniChem

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Article
PubMed
10n/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
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50084554
PNG
(2,6-Diisopropyl-1-{[4-(3-methyl-5-sulfamoyl-3H-[1,...)
Show SMILES CC(C)c1cc(cc(C(C)C)[n+]1CC(=O)Nc1ccc(cc1)S(=O)(=O)\N=c1\sc(nn1C)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C28H32N6O5S3/c1-18(2)24-15-21(20-9-7-6-8-10-20)16-25(19(3)4)34(24)17-26(35)30-22-11-13-23(14-12-22)42(38,39)32-27-33(5)31-28(40-27)41(29,36)37/h6-16,18-19H,17H2,1-5H3,(H2-,29,30,35,36,37)/p+1/b32-27+
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/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