BDBM50031251 (R)-2-{2-[(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]-acetylamino}-4-methyl-pentanoic acid methyl ester::CHEMBL410994

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

InChI Key: InChIKey=XXZLKFVUTRTUDT-JBDAZZQPSA-N

Data: 2 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 2 hits for monomerid = 50031251   

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))	BDBM50031251 ((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	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	330	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
Trypsin-1 (Homo sapiens (Human))	BDBM50031251 ((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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.09E+4	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 trypsin				J Med Chem 38: 4014-8 (1995) BindingDB Entry DOI: 10.7270/Q2JH3K6M
					More data for this Ligand-Target Pair