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BDBM50157952 2-Morpholin-4-yl-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-acetamide::2-morpholino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide::CHEMBL182634

SMILES: NS(=O)(=O)c1nnc(NC(=O)CN2CCOCC2)s1

InChI Key: InChIKey=CEVFZHVZMHZPRV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50157952   
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))
BDBM50157952
PNG
(2-Morpholin-4-yl-N-(5-sulfamoyl-[1,3,4]thiadiazol-...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN2CCOCC2)s1
Show InChI InChI=1S/C8H13N5O4S2/c9-19(15,16)8-12-11-7(18-8)10-6(14)5-13-1-3-17-4-2-13/h1-5H2,(H2,9,15,16)(H,10,11,14)
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MMDB

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Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibitory potency against human cloned Carbonic anhydrase II expressed in Escherichia coli strain BL21


Bioorg Med Chem Lett 15: 367-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.070
BindingDB Entry DOI: 10.7270/Q2B858WB
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50157952
PNG
(2-Morpholin-4-yl-N-(5-sulfamoyl-[1,3,4]thiadiazol-...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN2CCOCC2)s1
Show InChI InChI=1S/C8H13N5O4S2/c9-19(15,16)8-12-11-7(18-8)10-6(14)5-13-1-3-17-4-2-13/h1-5H2,(H2,9,15,16)(H,10,11,14)
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Article
PubMed
14n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibitory potency against human cloned Carbonic anhydrase I expressed in Escherichia coli strain BL21


Bioorg Med Chem Lett 15: 367-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.070
BindingDB Entry DOI: 10.7270/Q2B858WB
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50157952
PNG
(2-Morpholin-4-yl-N-(5-sulfamoyl-[1,3,4]thiadiazol-...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN2CCOCC2)s1
Show InChI InChI=1S/C8H13N5O4S2/c9-19(15,16)8-12-11-7(18-8)10-6(14)5-13-1-3-17-4-2-13/h1-5H2,(H2,9,15,16)(H,10,11,14)
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Article
PubMed
22n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibitory potency against catalytic domain of human Carbonic anhydrase IX expressed in Escherichia coli strain BL21


Bioorg Med Chem Lett 15: 367-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.070
BindingDB Entry DOI: 10.7270/Q2B858WB
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50157952
PNG
(2-Morpholin-4-yl-N-(5-sulfamoyl-[1,3,4]thiadiazol-...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN2CCOCC2)s1
Show InChI InChI=1S/C8H13N5O4S2/c9-19(15,16)8-12-11-7(18-8)10-6(14)5-13-1-3-17-4-2-13/h1-5H2,(H2,9,15,16)(H,10,11,14)
PDB
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Reactome pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

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UniChem

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PubMed
9.00E+8n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration


Eur J Med Chem 44: 3439-44 (2009)

More data for this
Ligand-Target Pair