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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 = 'BDBM50366112'   
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))		BDBM50366112
PNG
(CHEMBL1957187)
Show SMILES Cc1cc(C)cc(NC(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1
Show InChI InChI=1S/C19H18N2O3/c1-11-6-12(2)8-15(7-11)21-19(23)20-14-4-5-16-13(3)9-18(22)24-17(16)10-14/h4-10H,1-3H3,(H2,20,21,23)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
 3.88E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 after 6 hrs by stop-flow CO2 hydration assay

Bioorg Med Chem 20: 2266-73 (2012)


Article DOI: 10.1016/j.bmc.2012.02.014
BindingDB Entry DOI: 10.7270/Q2P26ZK0
More data for this
Ligand-Target Pair