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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 = 'BDBM178048'   
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))
BDBM178048
PNG
((3,4-Dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...)
Show SMILES COc1ccc(cc1OC)C(=O)C1=C(CCC1)c1ccc(OC)c(OC)c1 |t:13|
Show InChI InChI=1S/C22H24O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h8-13H,5-7H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
366n/a 740n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair