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BDBM50288892 2-(4-Sulfamoyl-benzoylamino)-hexanoic acid::CHEMBL153748

SMILES: CCCCC(NC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O

InChI Key: InChIKey=ZVYQTNZOKQAWTN-UHFFFAOYSA-N

Data: 1 Kd  1 Koff  1 Kon

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 = 50288892   
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))
BDBM50288892
PNG
(2-(4-Sulfamoyl-benzoylamino)-hexanoic acid | CHEMB...)
Show SMILES CCCCC(NC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C13H18N2O5S/c1-2-3-4-11(13(17)18)15-12(16)9-5-7-10(8-6-9)21(14,19)20/h5-8,11H,2-4H2,1H3,(H,15,16)(H,17,18)(H2,14,19,20)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
n/an/an/an/an/an/a 0.0220n/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for binding human carbonic anhydrase II (Kon=Kd x Koff)


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288892
PNG
(2-(4-Sulfamoyl-benzoylamino)-hexanoic acid | CHEMB...)
Show SMILES CCCCC(NC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C13H18N2O5S/c1-2-3-4-11(13(17)18)15-12(16)9-5-7-10(8-6-9)21(14,19)20/h5-8,11H,2-4H2,1H3,(H,15,16)(H,17,18)(H2,14,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
n/an/an/a 5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for binding human carbonic anhydrase II


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288892
PNG
(2-(4-Sulfamoyl-benzoylamino)-hexanoic acid | CHEMB...)
Show SMILES CCCCC(NC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C13H18N2O5S/c1-2-3-4-11(13(17)18)15-12(16)9-5-7-10(8-6-9)21(14,19)20/h5-8,11H,2-4H2,1H3,(H,15,16)(H,17,18)(H2,14,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
n/an/an/an/an/a 0.0110n/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant was determined against human carbonic anhydrase II at 37 degree centigrade in experiment 2


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
More data for this
Ligand-Target Pair