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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 = 'BDBM50424250'   
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))
BDBM50424250
PNG
(CHEMBL2314153)
Show SMILES CC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(O)=O)c1-c1ccccc1)C(=O)c1ccccc1 |w:4.4|
Show InChI InChI=1S/C33H26N6O7S/c1-20(40)28(31(41)22-11-6-3-7-12-22)37-36-24-13-8-14-25(19-24)39-30(21-9-4-2-5-10-21)27(33(43)44)29(38-39)32(42)35-23-15-17-26(18-16-23)47(34,45)46/h2-19,36H,1H3,(H,35,42)(H,43,44)(H2,34,45,46)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
62n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Un-competitive inhibition of human erythrocytes carbonic anhydrase 1 esterase activity by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 21-7 (2012)


Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR
More data for this
Ligand-Target Pair