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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Furin' and Ligand = 'BDBM50031246'   
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
Furin


(Homo sapiens (Human))		BDBM50031246
PNG
(CHEMBL132154 | [(R)-2-((S)-5-{(S)-6-Amino-2-[(S)-2...)
Show SMILES CCCCCCCCCCN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCC(=O)N[C@H](C(C)C)C(=O)NCC(=O)OC
Show InChI InChI=1S/C44H85N13O8/c1-7-8-9-10-11-12-13-16-25-50-32(21-18-27-52-44(48)49)39(61)57-38(30(4)5)42(64)55-33(19-14-15-24-45)40(62)54-31(20-17-26-51-43(46)47)34(58)22-23-35(59)56-37(29(2)3)41(63)53-28-36(60)65-6/h29-33,37-38,50H,7-28,45H2,1-6H3,(H,53,63)(H,54,62)(H,55,64)(H,56,59)(H,57,61)(H4,46,47,51)(H4,48,49,52)/t31-,32-,33-,37+,38-/m0/s1
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Similars
PubMed
 370n/an/an/an/an/an/an/an/a



Friedrich Miescher-Institut

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against furin

J Med Chem 38: 4014-8 (1995)


BindingDB Entry DOI: 10.7270/Q2JH3K6M
More data for this
Ligand-Target Pair