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BDBM50031247 6-Amino-2-[2-(2-decylamino-5-guanidino-pentanoylamino)-3-methyl-butyrylamino]-hexanoic acid [1-(2-{1-[1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-ethylamino}-acetyl)-4-guanidino-butyl]-amide::CHEMBL408241

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)CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(N)=O

InChI Key: InChIKey=OWJMREBZNKRWEZ-WJBNCBJFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50031247   
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))
BDBM50031247
PNG
(6-Amino-2-[2-(2-decylamino-5-guanidino-pentanoylam...)
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)CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H87N15O7/c1-7-8-9-10-11-12-13-16-23-51-32(21-18-25-53-44(49)50)39(63)59-37(29(4)5)42(66)57-33(19-14-15-22-45)40(64)56-31(20-17-24-52-43(47)48)34(60)26-54-30(6)38(62)58-36(28(2)3)41(65)55-27-35(46)61/h28-33,36-37,51,54H,7-27,45H2,1-6H3,(H2,46,61)(H,55,65)(H,56,64)(H,57,66)(H,58,62)(H,59,63)(H4,47,48,52)(H4,49,50,53)/t30-,31+,32-,33-,36-,37-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

Similars

PubMed
26n/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