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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-crystallin A chain' and Ligand = 'BDBM50218666'   
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
Alpha-crystallin A chain


(Homo sapiens)		BDBM50218666
PNG
(CHEMBL5291470)
Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(C)=O)[C@H](O)[C@@H](C)[C@@H](O)CCCCC[C@H](OC2=O)C(C)CCCCC[C@H](C)[C@@H](O)C[C@@H]1O[C@@]2(NC(=O)[C@@H](CC)C[C@@H]2C)[C@@H](C)[C@@H](O)[C@H]1C)C(C)C
Show InChI InChI=1S/C60H99N5O12/c1-11-44-32-38(6)60(63-55(44)71)42(10)53(69)41(9)51(77-60)34-49(68)36(4)22-15-12-16-23-37(5)50-28-20-14-19-27-48(67)40(8)54(70)45(30-29-39(7)66)56(72)62-52(35(2)3)57(73)61-47(33-43-24-17-13-18-25-43)58(74)65-31-21-26-46(64-65)59(75)76-50/h13,17-18,24-25,35-38,40-42,44-54,64,67-70H,11-12,14-16,19-23,26-34H2,1-10H3,(H,61,73)(H,62,72)(H,63,71)/t36-,37?,38-,40-,41-,42-,44-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54+,60+/m0/s1
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Article
PubMed
n/an/a 2.03E+5n/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans

Eur J Med Chem 44: 3439-44 (2009)


Article DOI: 10.1016/j.ejmech.2009.02.016
BindingDB Entry DOI: 10.7270/Q26W9DWG
More data for this
Ligand-Target Pair