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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50003245   
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 2


(Homo sapiens (Human))		BDBM50003245
PNG
(4-[4-(Isobutylamino-methyl)-benzenesulfonyl]-thiop...)
Show SMILES CC(C)CNCc1ccc(cc1)S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O4S3/c1-11(2)8-17-9-12-3-5-13(6-4-12)23(18,19)14-7-15(22-10-14)24(16,20)21/h3-7,10-11,17H,8-9H2,1-2H3,(H2,16,20,21)
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MMDB

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PubMed
 6.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)

J Med Chem 35: 3822-31 (1992)


BindingDB Entry DOI: 10.7270/Q2ZG6SV4
More data for this
Ligand-Target Pair