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BDBM50292007 CHEMBL1795064::CHEMBL286828::{{2-[2-(2-{Carboxymethyl-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-ethoxy)-ethoxy]-ethyl}-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-acetic acid::{{2-[2-(2-{Carboxymethyl-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-ethoxy)-ethoxy]-ethyl}-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-acetic acid; compound with Al complex::{{2-[2-(2-{Carboxymethyl-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-ethoxy)-ethoxy]-ethyl}-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-acetic acid; compound with Cu complex::{{2-[2-(2-{Carboxymethyl-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-ethoxy)-ethoxy]-ethyl}-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-acetic acid; compound with Zn complex

SMILES: NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)s1

InChI Key: InChIKey=GBDGTOLMAXSIBD-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50292007   
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))
BDBM50292007
PNG
(CHEMBL1795064 | CHEMBL286828 | {{2-[2-(2-{Carboxym...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)s1
Show InChI InChI=1S/C18H28N10O12S4/c19-43(35,36)17-25-23-15(41-17)21-11(29)7-27(9-13(31)32)1-3-39-5-6-40-4-2-28(10-14(33)34)8-12(30)22-16-24-26-18(42-16)44(20,37)38/h1-10H2,(H,31,32)(H,33,34)(H2,19,35,36)(H2,20,37,38)(H,21,23,29)(H,22,24,30)
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0.700n/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


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


(Homo sapiens (human))
BDBM50292007
PNG
(CHEMBL1795064 | CHEMBL286828 | {{2-[2-(2-{Carboxym...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)s1
Show InChI InChI=1S/C18H28N10O12S4/c19-43(35,36)17-25-23-15(41-17)21-11(29)7-27(9-13(31)32)1-3-39-5-6-40-4-2-28(10-14(33)34)8-12(30)22-16-24-26-18(42-16)44(20,37)38/h1-10H2,(H,31,32)(H,33,34)(H2,19,35,36)(H2,20,37,38)(H,21,23,29)(H,22,24,30)
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2n/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50292007
PNG
(CHEMBL1795064 | CHEMBL286828 | {{2-[2-(2-{Carboxym...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)s1
Show InChI InChI=1S/C18H28N10O12S4/c19-43(35,36)17-25-23-15(41-17)21-11(29)7-27(9-13(31)32)1-3-39-5-6-40-4-2-28(10-14(33)34)8-12(30)22-16-24-26-18(42-16)44(20,37)38/h1-10H2,(H,31,32)(H,33,34)(H2,19,35,36)(H2,20,37,38)(H,21,23,29)(H,22,24,30)
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4n/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50292007
PNG
(CHEMBL1795064 | CHEMBL286828 | {{2-[2-(2-{Carboxym...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)s1
Show InChI InChI=1S/C18H28N10O12S4/c19-43(35,36)17-25-23-15(41-17)21-11(29)7-27(9-13(31)32)1-3-39-5-6-40-4-2-28(10-14(33)34)8-12(30)22-16-24-26-18(42-16)44(20,37)38/h1-10H2,(H,31,32)(H,33,34)(H2,19,35,36)(H2,20,37,38)(H,21,23,29)(H,22,24,30)
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8n/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


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


(Homo sapiens (human))
BDBM50292007
PNG
(CHEMBL1795064 | CHEMBL286828 | {{2-[2-(2-{Carboxym...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)s1
Show InChI InChI=1S/C18H28N10O12S4/c19-43(35,36)17-25-23-15(41-17)21-11(29)7-27(9-13(31)32)1-3-39-5-6-40-4-2-28(10-14(33)34)8-12(30)22-16-24-26-18(42-16)44(20,37)38/h1-10H2,(H,31,32)(H,33,34)(H2,19,35,36)(H2,20,37,38)(H,21,23,29)(H,22,24,30)
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27n/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


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


(Homo sapiens (human))
BDBM50292007
PNG
(CHEMBL1795064 | CHEMBL286828 | {{2-[2-(2-{Carboxym...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)s1
Show InChI InChI=1S/C18H28N10O12S4/c19-43(35,36)17-25-23-15(41-17)21-11(29)7-27(9-13(31)32)1-3-39-5-6-40-4-2-28(10-14(33)34)8-12(30)22-16-24-26-18(42-16)44(20,37)38/h1-10H2,(H,31,32)(H,33,34)(H2,19,35,36)(H2,20,37,38)(H,21,23,29)(H,22,24,30)
PDB
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Reactome pathway
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PubMed
55n/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


Citation and Details
More data for this
Ligand-Target Pair