BDBM50031246 CHEMBL132154::[(R)-2-((S)-5-{(S)-6-Amino-2-[(S)-2-((S)-2-decylamino-5-guanidino-pentanoylamino)-3-methyl-butyrylamino]-hexanoylamino}-8-guanidino-4-oxo-octanoylamino)-3-methyl-butyrylamino]-acetic acid methyl ester

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

InChI Key: InChIKey=ZKLMDJBNYBXNLI-SGFLUHKJSA-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 = 50031246   

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))	BDBM50031246 (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	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	370	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
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