BDBM50031249 (S)-2-((S)-3-{(S)-6-Amino-2-[(S)-2-((S)-2-decylamino-5-guanidino-pentanoylamino)-3-methyl-butyrylamino]-hexanoylamino}-6-guanidino-2-oxo-hexylamino)-propionic acid methyl ester::CHEMBL132104

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)OC

InChI Key: InChIKey=NWDXUWNFSJNTDE-ANQBNUITSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50031249   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA (Homo sapiens (Human))	BDBM50031249 ((S)-2-((S)-3-{(S)-6-Amino-2-[(S)-2-((S)-2-decylami...) 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)OC Show InChI InChI=1S/C38H76N12O6/c1-6-7-8-9-10-11-12-15-22-44-29(20-17-24-46-38(42)43)33(52)50-32(26(2)3)35(54)49-30(18-13-14-21-39)34(53)48-28(19-16-23-45-37(40)41)31(51)25-47-27(4)36(55)56-5/h26-30,32,44,47H,6-25,39H2,1-5H3,(H,48,53)(H,49,54)(H,50,52)(H4,40,41,45)(H4,42,43,46)/t27-,28-,29-,30-,32-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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