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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 4' and Ligand = 'BDBM50114147'   
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 4


(Bos taurus (bovine))		BDBM50114147
PNG
((R)-4-((5S,6R,8S,9S,12S,14R,17S)-7-Hydroxy-3-(R)-h...)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C29H47N5O6S2/c1-16(4-7-23(37)31-13-10-24(38)32-26-33-34-27(41-26)42(30,39)40)19-5-6-20-25-21(9-12-29(19,20)3)28(2)11-8-18(35)14-17(28)15-22(25)36/h16-22,25,35-36H,4-15H2,1-3H3,(H,31,37)(H2,30,39,40)(H,32,33,38)/t16-,17+,18-,19-,20+,21+,22+,25+,28+,29-/m1/s1
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Similars
PubMed
 1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), obtained from bovine lung microsomes

Bioorg Med Chem Lett 12: 1551-7 (2002)


BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair