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BDBM50292133 ({[2-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-ethylcarbamoyl]-methyl}-amino)-acetic acid::CHEMBL286108

SMILES: NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CNCC(O)=O)s1

InChI Key: InChIKey=DCIBBANBLKPKCU-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 = 50292133   
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))
BDBM50292133
PNG
(({[2-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CNCC(O)=O)s1
Show InChI InChI=1S/C9H14N6O6S2/c10-23(20,21)9-15-14-8(22-9)13-5(16)1-2-12-6(17)3-11-4-7(18)19/h11H,1-4H2,(H,12,17)(H,18,19)(H2,10,20,21)(H,13,14,16)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

PubMed
1.5n/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)


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


(Bos taurus (bovine))
BDBM50292133
PNG
(({[2-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CNCC(O)=O)s1
Show InChI InChI=1S/C9H14N6O6S2/c10-23(20,21)9-15-14-8(22-9)13-5(16)1-2-12-6(17)3-11-4-7(18)19/h11H,1-4H2,(H,12,17)(H,18,19)(H2,10,20,21)(H,13,14,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
48n/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)


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


(Homo sapiens (Human))
BDBM50292133
PNG
(({[2-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CNCC(O)=O)s1
Show InChI InChI=1S/C9H14N6O6S2/c10-23(20,21)9-15-14-8(22-9)13-5(16)1-2-12-6(17)3-11-4-7(18)19/h11H,1-4H2,(H,12,17)(H,18,19)(H2,10,20,21)(H,13,14,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
280n/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)


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