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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 = 'BDBM50155545'   
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))
BDBM50155545
PNG
(5-{4-[3-(4-Methyl-piperazin-1-yl)-thioureido]-benz...)
Show SMILES CN1CCN(CC1)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C14H20N8O4S4/c1-21-6-8-22(9-7-21)19-12(27)16-10-2-4-11(5-3-10)30(25,26)20-13-17-18-14(28-13)29(15,23)24/h2-5H,6-9H2,1H3,(H,17,20)(H2,15,23,24)(H2,16,19,27)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase I


Bioorg Med Chem Lett 14: 5775-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.062
More data for this
Ligand-Target Pair