BDBM50269880 CHEMBL506435::TPRWRRRKKRG

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](Cc1c[nH]c2ccccc12)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)NCC(N)=O

InChI Key: InChIKey=QUHUWASYRYLIGA-OKLPCNTDSA-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 = 50269880   

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))	BDBM50269880 (CHEMBL506435 | TPRWRRRKKRG) 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](Cc1c[nH]c2ccccc12)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)NCC(N)=O |r,wU:1.1,15.15,40.42,62.64,82.84,wD:3.3,11.12,26.26,51.53,73.75,91.93,(-5.67,-30.64,;-5.87,-29.11,;-7.29,-28.52,;-4.64,-28.18,;-4.84,-26.66,;-3.23,-28.78,;-2,-27.85,;-3.03,-30.3,;-4.16,-31.55,;-3.33,-33.01,;-1.69,-32.68,;-1.76,-31.13,;-.43,-30.36,;-.43,-28.82,;.9,-31.13,;2.23,-30.36,;2.23,-28.82,;3.57,-28.05,;3.57,-26.51,;4.9,-25.74,;4.9,-24.21,;3.57,-23.44,;6.24,-23.43,;3.56,-31.13,;3.56,-32.67,;4.89,-30.36,;6.23,-31.13,;6.23,-32.67,;7.56,-33.44,;8.97,-32.82,;9.99,-33.96,;9.22,-35.29,;9.7,-36.76,;8.66,-37.9,;7.16,-37.58,;6.68,-36.11,;7.72,-34.98,;7.56,-30.36,;7.56,-28.83,;8.89,-31.13,;10.22,-30.37,;10.22,-28.83,;11.56,-28.06,;11.56,-26.52,;12.89,-25.76,;12.89,-24.22,;11.57,-23.45,;14.23,-23.44,;11.56,-31.14,;11.56,-32.68,;12.88,-30.37,;14.22,-31.14,;14.22,-32.68,;15.56,-33.45,;15.56,-34.99,;16.88,-35.76,;16.88,-37.3,;15.55,-38.08,;18.21,-38.07,;15.56,-30.37,;15.56,-28.84,;16.88,-31.14,;18.22,-30.38,;18.22,-28.84,;19.56,-28.07,;19.56,-26.54,;20.89,-25.77,;20.89,-24.23,;19.56,-23.47,;22.22,-23.46,;19.56,-31.15,;19.56,-32.69,;20.88,-30.38,;22.22,-31.15,;22.22,-32.7,;23.55,-33.46,;23.55,-35,;24.88,-35.78,;24.88,-37.31,;23.55,-30.39,;23.55,-28.85,;24.88,-31.16,;26.21,-30.38,;26.21,-28.85,;27.55,-28.08,;27.55,-26.55,;28.89,-25.77,;28.89,-24.24,;27.55,-31.16,;27.55,-32.7,;28.88,-30.39,;30.21,-31.16,;30.21,-32.71,;31.55,-33.47,;31.55,-35.01,;32.88,-35.78,;32.88,-37.32,;31.54,-38.09,;34.2,-38.09,;31.55,-30.4,;31.55,-28.85,;32.89,-31.17,;34.21,-30.39,;35.55,-31.16,;36.88,-30.39,;35.55,-32.71,)| Show InChI InChI=1S/C64H114N30O12/c1-35(95)49(68)59(106)94-31-13-23-47(94)58(105)92-45(22-12-30-83-64(77)78)56(103)93-46(32-36-33-84-38-15-3-2-14-37(36)38)57(104)91-44(21-11-29-82-63(75)76)55(102)90-43(20-10-28-81-62(73)74)54(101)89-42(19-9-27-80-61(71)72)53(100)88-41(17-5-7-25-66)52(99)87-40(16-4-6-24-65)51(98)86-39(18-8-26-79-60(69)70)50(97)85-34-48(67)96/h2-3,14-15,33,35,39-47,49,84,95H,4-13,16-32,34,65-66,68H2,1H3,(H2,67,96)(H,85,97)(H,86,98)(H,87,99)(H,88,100)(H,89,101)(H,90,102)(H,91,104)(H,92,105)(H,93,103)(H4,69,70,79)(H4,71,72,80)(H4,73,74,81)(H4,75,76,82)(H4,77,78,83)/t35-,39+,40+,41+,42+,43+,44+,45+,46+,47+,49+/m1/s1	PDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>100	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