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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Furin' and Ligand = 'BDBM50031251'   
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))		BDBM50031251
PNG
((R)-2-{2-[(R)-2-((S)-5-{(S)-6-Amino-2-[(S)-2-((S)-...)
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)N[C@H](CC(C)C)C(=O)OC
Show InChI InChI=1S/C50H96N14O9/c1-9-10-11-12-13-14-15-18-27-56-36(23-20-29-58-50(54)55)44(68)64-43(34(6)7)47(71)62-37(21-16-17-26-51)45(69)61-35(22-19-28-57-49(52)53)39(65)24-25-40(66)63-42(33(4)5)46(70)59-31-41(67)60-38(30-32(2)3)48(72)73-8/h32-38,42-43,56H,9-31,51H2,1-8H3,(H,59,70)(H,60,67)(H,61,69)(H,62,71)(H,63,66)(H,64,68)(H4,52,53,57)(H4,54,55,58)/t35-,36-,37-,38+,42+,43-/m0/s1
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Similars
PubMed
 330n/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