new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50153974'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50153974
PNG
(4-[(4,6-Dichloro-[1,3,5]triazin-2-ylamino)-methyl]...)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C10H9Cl2N5O2S/c11-8-15-9(12)17-10(16-8)14-5-6-1-3-7(4-2-6)20(13,18)19/h1-4H,5H2,(H2,13,18,19)(H,14,15,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
136n/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 expressed in Escherichia coli BL21


Bioorg Med Chem Lett 14: 5427-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.087
BindingDB Entry DOI: 10.7270/Q2XD12DQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50153974
PNG
(4-[(4,6-Dichloro-[1,3,5]triazin-2-ylamino)-methyl]...)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C10H9Cl2N5O2S/c11-8-15-9(12)17-10(16-8)14-5-6-1-3-7(4-2-6)20(13,18)19/h1-4H,5H2,(H2,13,18,19)(H,14,15,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
136n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair