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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 = 'BDBM50258716'   
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))
BDBM50258716
PNG
(1-({[5-(Aminosulfonyl)-3-(4-bromophenyl)-1H-indol-...)
Show SMILES Cc1ccc(cc1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H24N4O3S/c1-14-5-7-18(8-6-14)22-20-13-19(32(25,30)31)9-10-21(20)26-23(22)24(29)27-28-16(3)11-15(2)12-17(28)4/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.970n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


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


J Med Chem 52: 4063-7 (2009)


Article DOI: 10.1021/jm9004016
BindingDB Entry DOI: 10.7270/Q2736QTJ
More data for this
Ligand-Target Pair