BDBM50270218 CHEMBL504445::GGGTPQRARRRKKRW

SMILES: C[C@@H](O)[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=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=CYFUJCZUTGCMKW-HYSJMYIFSA-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 = 50270218   

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))	BDBM50270218 (CHEMBL504445 | GGGTPQRARRRKKRW) Show SMILES C[C@@H](O)[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=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:47.48,27.27,63.63,85.85,1.1,103.103,wD:3.3,23.24,36.36,74.74,94.94,52.52,114.114,(3.9,-25.94,;3.5,-24.46,;2.03,-24.06,;4.6,-23.37,;4.18,-21.87,;2.84,-21.1,;2.84,-19.56,;1.51,-21.88,;.18,-21.11,;-1.16,-21.87,;-1.16,-23.41,;-2.49,-21.09,;-3.82,-21.86,;-5.15,-21.08,;-5.15,-19.54,;-6.48,-21.86,;-7.82,-21.08,;6.08,-23.77,;7.17,-22.68,;6.4,-25.27,;5.37,-26.42,;6.14,-27.75,;7.65,-27.43,;7.81,-25.9,;9.14,-25.13,;9.14,-23.58,;10.48,-25.89,;11.81,-25.11,;11.81,-23.57,;13.15,-22.8,;13.15,-21.26,;11.82,-20.49,;14.48,-20.49,;13.15,-25.88,;13.15,-27.42,;14.49,-25.12,;15.81,-25.9,;15.81,-27.44,;17.15,-28.21,;17.15,-29.75,;18.49,-30.52,;18.47,-32.06,;17.15,-32.83,;19.84,-32.83,;17.15,-25.13,;17.15,-23.58,;18.48,-25.9,;19.81,-25.12,;19.81,-23.57,;21.14,-25.89,;21.14,-27.43,;22.48,-25.13,;23.81,-25.91,;23.81,-27.45,;25.15,-28.22,;25.15,-29.76,;26.48,-30.53,;26.48,-32.07,;25.14,-32.84,;27.82,-32.84,;25.15,-25.14,;25.15,-23.59,;26.49,-25.89,;27.82,-25.11,;27.82,-23.56,;29.15,-22.79,;29.15,-21.25,;30.49,-20.49,;30.48,-18.95,;29.15,-18.18,;31.84,-18.18,;29.15,-25.88,;29.15,-27.42,;30.49,-25.11,;31.82,-25.88,;31.82,-27.42,;33.16,-28.19,;33.16,-29.73,;34.5,-30.49,;34.48,-32.03,;33.16,-32.81,;35.82,-32.81,;33.16,-25.11,;33.16,-23.56,;34.49,-25.88,;35.82,-25.11,;35.82,-23.56,;37.15,-22.79,;37.15,-21.25,;38.5,-20.48,;38.5,-18.95,;37.15,-25.88,;37.15,-27.42,;38.49,-25.12,;39.82,-25.89,;39.82,-27.43,;41.15,-28.2,;41.15,-29.74,;42.49,-30.51,;42.5,-32.05,;41.15,-25.12,;41.15,-23.58,;42.49,-25.89,;43.81,-25.11,;43.81,-23.56,;45.15,-22.79,;45.15,-21.25,;46.49,-20.48,;46.48,-18.94,;45.16,-18.18,;47.83,-18.18,;45.15,-25.88,;45.15,-27.42,;46.49,-25.12,;47.82,-25.88,;47.82,-27.42,;49.12,-28.25,;50.55,-27.71,;51.52,-28.91,;50.68,-30.2,;51.08,-31.69,;49.99,-32.78,;48.5,-32.38,;48.1,-30.89,;49.19,-29.8,;49.16,-25.11,;50.49,-25.88,;49.16,-23.56,)| Show InChI InChI=1S/C76H132N34O18/c1-40(99-61(117)47(19-9-29-91-72(81)82)103-68(124)52(25-26-55(80)112)107-69(125)54-24-14-34-110(54)70(126)59(41(2)111)109-58(115)39-98-57(114)38-97-56(113)36-79)60(116)100-48(20-10-30-92-73(83)84)64(120)104-50(22-12-32-94-75(87)88)66(122)105-49(21-11-31-93-74(85)86)65(121)102-45(17-5-7-27-77)62(118)101-46(18-6-8-28-78)63(119)106-51(23-13-33-95-76(89)90)67(123)108-53(71(127)128)35-42-37-96-44-16-4-3-15-43(42)44/h3-4,15-16,37,40-41,45-54,59,96,111H,5-14,17-36,38-39,77-79H2,1-2H3,(H2,80,112)(H,97,113)(H,98,114)(H,99,117)(H,100,116)(H,101,118)(H,102,121)(H,103,124)(H,104,120)(H,105,122)(H,106,119)(H,107,125)(H,108,123)(H,109,115)(H,127,128)(H4,81,82,91)(H4,83,84,92)(H4,85,86,93)(H4,87,88,94)(H4,89,90,95)/t40-,41+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	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