BDBM50031245 CHEMBL341266::{2-[2-(3-{6-Amino-2-[2-(2-decylamino-5-guanidino-pentanoylamino)-3-methyl-butyrylamino]-hexanoylamino}-6-guanidino-2-oxo-hexylamino)-propionylamino]-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)CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)OC

InChI Key: InChIKey=YELDTJYKTKNIJB-FFIZALLVSA-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 = 50031245   

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))	BDBM50031245 (CHEMBL341266 | {2-[2-(3-{6-Amino-2-[2-(2-decylamin...) 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(=O)OC Show InChI InChI=1S/C45H88N14O8/c1-8-9-10-11-12-13-14-17-24-51-33(22-19-26-53-45(49)50)40(63)59-38(30(4)5)43(66)57-34(20-15-16-23-46)41(64)56-32(21-18-25-52-44(47)48)35(60)27-54-31(6)39(62)58-37(29(2)3)42(65)55-28-36(61)67-7/h29-34,37-38,51,54H,8-28,46H2,1-7H3,(H,55,65)(H,56,64)(H,57,66)(H,58,62)(H,59,63)(H4,47,48,52)(H4,49,50,53)/t31-,32-,33-,34-,37-,38-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10	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))	BDBM50031245 (CHEMBL341266 | {2-[2-(3-{6-Amino-2-[2-(2-decylamin...) 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(=O)OC Show InChI InChI=1S/C45H88N14O8/c1-8-9-10-11-12-13-14-17-24-51-33(22-19-26-53-45(49)50)40(63)59-38(30(4)5)43(66)57-34(20-15-16-23-46)41(64)56-32(21-18-25-52-44(47)48)35(60)27-54-31(6)39(62)58-37(29(2)3)42(65)55-28-36(61)67-7/h29-34,37-38,51,54H,8-28,46H2,1-7H3,(H,55,65)(H,56,64)(H,57,66)(H,58,62)(H,59,63)(H4,47,48,52)(H4,49,50,53)/t31-,32-,33-,34-,37-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+3	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