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BDBM50292074 CHEMBL36322::{{2-[2-(2-{Carboxymethyl-[(2-iodo-4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethoxy)-ethoxy]-ethyl}-[(2-iodo-4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-acetic acid

SMILES: NS(=O)(=O)c1ccc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2ccc(cc2I)S(N)(=O)=O)CC(O)=O)c(I)c1

InChI Key: InChIKey=LWTMFXMKOYGYAJ-UHFFFAOYSA-N

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 = 50292074   
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))
BDBM50292074
PNG
(CHEMBL36322 | {{2-[2-(2-{Carboxymethyl-[(2-iodo-4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2ccc(cc2I)S(N)(=O)=O)CC(O)=O)c(I)c1
Show InChI InChI=1S/C26H34I2N6O12S2/c27-19-11-17(47(29,41)42)1-3-21(19)31-23(35)13-33(15-25(37)38)5-7-45-9-10-46-8-6-34(16-26(39)40)14-24(36)32-22-4-2-18(12-20(22)28)48(30,43)44/h1-4,11-12H,5-10,13-16H2,(H,31,35)(H,32,36)(H,37,38)(H,39,40)(H2,29,41,42)(H2,30,43,44)
PDB
MMDB

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Article
PubMed
8n/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


J Med Chem 45: 1466-76 (2002)


Article DOI: 10.1021/jm0108202
BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50292074
PNG
(CHEMBL36322 | {{2-[2-(2-{Carboxymethyl-[(2-iodo-4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2ccc(cc2I)S(N)(=O)=O)CC(O)=O)c(I)c1
Show InChI InChI=1S/C26H34I2N6O12S2/c27-19-11-17(47(29,41)42)1-3-21(19)31-23(35)13-33(15-25(37)38)5-7-45-9-10-46-8-6-34(16-26(39)40)14-24(36)32-22-4-2-18(12-20(22)28)48(30,43)44/h1-4,11-12H,5-10,13-16H2,(H,31,35)(H,32,36)(H,37,38)(H,39,40)(H2,29,41,42)(H2,30,43,44)
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PC sid
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Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV


J Med Chem 45: 1466-76 (2002)


Article DOI: 10.1021/jm0108202
BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50292074
PNG
(CHEMBL36322 | {{2-[2-(2-{Carboxymethyl-[(2-iodo-4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2ccc(cc2I)S(N)(=O)=O)CC(O)=O)c(I)c1
Show InChI InChI=1S/C26H34I2N6O12S2/c27-19-11-17(47(29,41)42)1-3-21(19)31-23(35)13-33(15-25(37)38)5-7-45-9-10-46-8-6-34(16-26(39)40)14-24(36)32-22-4-2-18(12-20(22)28)48(30,43)44/h1-4,11-12H,5-10,13-16H2,(H,31,35)(H,32,36)(H,37,38)(H,39,40)(H2,29,41,42)(H2,30,43,44)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
76n/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


J Med Chem 45: 1466-76 (2002)


Article DOI: 10.1021/jm0108202
BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair