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BDBM50031250 (R)-2-{2-[(R)-2-((S)-5-{(S)-2-[(S)-2-((S)-2-Acetylamino-5-guanidino-pentanoylamino)-3-methyl-butyrylamino]-6-amino-hexanoylamino}-8-guanidino-4-oxo-octanoylamino)-3-methyl-butyrylamino]-acetylamino}-4-methyl-pentanoic acid methyl ester::CHEMBL337198

SMILES: COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@H](NC(=O)CCC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(C)C)C(C)C

InChI Key: InChIKey=SNTCAOUIVXOIOW-XFQPNXORSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50031250   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))		BDBM50031250
PNG
((R)-2-{2-[(R)-2-((S)-5-{(S)-2-[(S)-2-((S)-2-Acetyl...)
Show SMILES COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@H](NC(=O)CCC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(C)C)C(C)C
Show InChI InChI=1S/C42H78N14O10/c1-23(2)21-30(40(65)66-8)52-33(60)22-50-38(63)34(24(3)4)55-32(59)17-16-31(58)27(14-11-19-48-41(44)45)53-36(61)29(13-9-10-18-43)54-39(64)35(25(5)6)56-37(62)28(51-26(7)57)15-12-20-49-42(46)47/h23-25,27-30,34-35H,9-22,43H2,1-8H3,(H,50,63)(H,51,57)(H,52,60)(H,53,61)(H,54,64)(H,55,59)(H,56,62)(H4,44,45,48)(H4,46,47,49)/t27-,28-,29-,30+,34+,35-/m0/s1
PDB

KEGG

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PC cid
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Similars
PubMed
 350n/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