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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50037251'   
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))
BDBM50037251
PNG
(CHEMBL3356258)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C=O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H14N4O3S2/c1-11-2-4-12(5-3-11)17-13(10-23)9-22(21-17)18-20-15-7-6-14(27(19,24)25)8-16(15)26-18/h2-10H,1H3,(H2,19,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.41E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
BindingDB Entry DOI: 10.7270/Q20V8FCK
More data for this
Ligand-Target Pair