BindingDB logo
myBDB logout

BDBM50270207 CHEMBL510495::TPQR4RRRKK4G

SMILES: [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]C1([#6]-[#6]-[#6]-[#6]1)[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]C1([#6]-[#6]-[#6]-[#6]1)[#6](=O)-[#7]-[#6]-[#6](-[#8])=O

InChI Key: InChIKey=JXZSWGCPJVRKFP-CNFNOFKZNA-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 = 50270207   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270207
PNG
(CHEMBL510495 | TPQR4RRRKK4G)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1(CCCC1)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)NC1(CCCC1)C(=O)NCC(O)=O
Show InChI InChI=1/C64H117N27O15/c1-36(92)47(68)56(104)91-34-14-21-44(91)55(103)87-43(22-23-45(67)93)52(100)86-42(20-13-33-80-62(75)76)54(102)90-64(26-6-7-27-64)58(106)88-40(19-12-32-79-61(73)74)51(99)84-39(18-11-31-78-60(71)72)50(98)83-38(17-10-30-77-59(69)70)49(97)82-37(15-2-8-28-65)48(96)85-41(16-3-9-29-66)53(101)89-63(24-4-5-25-63)57(105)81-35-46(94)95/h36-44,47,92H,2-35,65-66,68H2,1H3,(H2,67,93)(H,81,105)(H,82,97)(H,83,98)(H,84,99)(H,85,96)(H,86,100)(H,87,103)(H,88,106)(H,89,101)(H,90,102)(H,94,95)(H4,69,70,77)(H4,71,72,78)(H4,73,74,79)(H4,75,76,80)/t36-,37+,38+,39+,40+,41+,42+,43+,44+,47+/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>100n/an/an/an/an/an/an/an/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