new BindingDB logo
myBDB logout

BDBM50314547 CHEMBL1089329::N-4-(Aminosulfonyl)benzyl-S-(1-thio-beta-lactosyl)sulfonamide

SMILES: NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1

InChI Key: InChIKey=ZXNZJJJMUZHRHM-YVSFIXKFSA-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 = 50314547   
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))
BDBM50314547
PNG
(CHEMBL1089329 | N-4-(Aminosulfonyl)benzyl-S-(1-thi...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C19H30N2O14S2/c20-36(29,30)9-3-1-8(2-4-9)5-21-37(31,32)19-16(28)14(26)17(11(7-23)34-19)35-18-15(27)13(25)12(24)10(6-22)33-18/h1-4,10-19,21-28H,5-7H2,(H2,20,29,30)/t10-,11-,12-,13+,14-,15-,16-,17-,18-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay


J Med Chem 53: 2913-26 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50314547
PNG
(CHEMBL1089329 | N-4-(Aminosulfonyl)benzyl-S-(1-thi...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C19H30N2O14S2/c20-36(29,30)9-3-1-8(2-4-9)5-21-37(31,32)19-16(28)14(26)17(11(7-23)34-19)35-18-15(27)13(25)12(24)10(6-22)33-18/h1-4,10-19,21-28H,5-7H2,(H2,20,29,30)/t10-,11-,12-,13+,14-,15-,16-,17-,18-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
8.20n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by stopped flow CO2 hydration assay


J Med Chem 53: 2913-26 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50314547
PNG
(CHEMBL1089329 | N-4-(Aminosulfonyl)benzyl-S-(1-thi...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C19H30N2O14S2/c20-36(29,30)9-3-1-8(2-4-9)5-21-37(31,32)19-16(28)14(26)17(11(7-23)34-19)35-18-15(27)13(25)12(24)10(6-22)33-18/h1-4,10-19,21-28H,5-7H2,(H2,20,29,30)/t10-,11-,12-,13+,14-,15-,16-,17-,18-,19+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
98n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay


J Med Chem 53: 2913-26 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50314547
PNG
(CHEMBL1089329 | N-4-(Aminosulfonyl)benzyl-S-(1-thi...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C19H30N2O14S2/c20-36(29,30)9-3-1-8(2-4-9)5-21-37(31,32)19-16(28)14(26)17(11(7-23)34-19)35-18-15(27)13(25)12(24)10(6-22)33-18/h1-4,10-19,21-28H,5-7H2,(H2,20,29,30)/t10-,11-,12-,13+,14-,15-,16-,17-,18-,19+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
101n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay


J Med Chem 53: 2913-26 (2010)

More data for this
Ligand-Target Pair