BDBM50270240 CHEMBL506239::TPRARRRKKRW

SMILES: C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=PDYCOUFQEJHKSA-OKYODGFXSA-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 = 50270240   

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))	BDBM50270240 (CHEMBL506239 | TPRARRRKKRW) Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,wU:1.1,15.15,31.31,53.53,73.73,93.93,wD:3.3,11.12,26.27,42.42,64.64,82.82,(-8.66,-10.38,;-8.95,-8.88,;-10.41,-8.37,;-7.79,-7.86,;-8.09,-6.35,;-6.34,-8.37,;-5.18,-7.35,;-6.14,-9.89,;-7.26,-11.14,;-6.44,-12.59,;-4.79,-12.26,;-4.88,-10.71,;-3.55,-9.94,;-3.55,-8.4,;-2.21,-10.71,;-.88,-9.94,;-.88,-8.39,;.45,-7.63,;.45,-6.08,;1.77,-5.32,;1.77,-3.77,;.44,-3,;3.11,-3.01,;.45,-10.7,;.45,-12.24,;1.78,-9.93,;3.12,-10.7,;3.12,-12.23,;4.45,-9.93,;4.45,-8.38,;5.77,-10.69,;7.11,-9.92,;7.11,-8.39,;8.44,-7.62,;8.44,-6.08,;9.78,-5.31,;9.78,-3.76,;8.44,-2.99,;11.1,-3,;8.44,-10.7,;8.44,-12.23,;9.78,-9.92,;11.1,-10.69,;11.1,-12.22,;12.44,-12.99,;12.44,-14.53,;13.78,-15.3,;13.78,-16.84,;12.45,-17.61,;15.11,-17.6,;12.44,-9.92,;12.44,-8.37,;13.78,-10.68,;15.1,-9.91,;15.1,-8.38,;16.44,-7.6,;16.44,-6.07,;17.76,-5.3,;17.76,-3.76,;16.43,-2.98,;19.1,-2.99,;16.44,-10.68,;16.44,-12.22,;17.77,-9.92,;19.1,-10.68,;19.1,-12.22,;20.44,-12.99,;20.44,-14.53,;21.77,-15.3,;21.77,-16.83,;20.44,-9.91,;20.44,-8.37,;21.76,-10.68,;23.1,-9.91,;23.1,-8.37,;24.43,-7.6,;24.43,-6.06,;25.77,-5.29,;25.77,-3.75,;24.43,-10.68,;24.43,-12.21,;25.77,-9.91,;27.1,-10.67,;27.1,-12.21,;28.43,-12.98,;28.43,-14.52,;29.77,-15.29,;29.77,-16.82,;28.43,-17.59,;31.1,-17.59,;28.43,-9.9,;28.43,-8.36,;29.76,-10.68,;31.1,-9.9,;31.1,-8.36,;32.43,-7.59,;33.82,-8.2,;34.85,-7.07,;34.08,-5.73,;34.56,-4.27,;33.53,-3.13,;32.03,-3.45,;31.55,-4.92,;32.59,-6.05,;32.43,-10.67,;33.76,-9.9,;32.43,-12.2,)| Show InChI InChI=1S/C65H115N29O13/c1-35(85-51(97)42(19-9-27-79-61(69)70)92-58(104)48-24-14-32-94(48)59(105)49(68)36(2)95)50(96)86-43(20-10-28-80-62(71)72)54(100)89-45(22-12-30-82-64(75)76)56(102)90-44(21-11-29-81-63(73)74)55(101)88-40(17-5-7-25-66)52(98)87-41(18-6-8-26-67)53(99)91-46(23-13-31-83-65(77)78)57(103)93-47(60(106)107)33-37-34-84-39-16-4-3-15-38(37)39/h3-4,15-16,34-36,40-49,84,95H,5-14,17-33,66-68H2,1-2H3,(H,85,97)(H,86,96)(H,87,98)(H,88,101)(H,89,100)(H,90,102)(H,91,99)(H,92,104)(H,93,103)(H,106,107)(H4,69,70,79)(H4,71,72,80)(H4,73,74,81)(H4,75,76,82)(H4,77,78,83)/t35-,36+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage				J Biol Chem 282: 20847-53 (2007) Article DOI: 10.1074/jbc.M703847200 BindingDB Entry DOI: 10.7270/Q2057FPB
					More data for this Ligand-Target Pair