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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 = 'BDBM50037252'   
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))
BDBM50037252
PNG
(CHEMBL3356257)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H12N4O3S2/c18-26(23,24)13-6-7-14-15(8-13)25-17(19-14)21-9-12(10-22)16(20-21)11-4-2-1-3-5-11/h1-10H,(H2,18,23,24)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
8.81E+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