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BDBM50314150 Arg-Pro-Lys-Arg-Pro-Thr-Thr-Leu-Asn-Leu-Phe::CHEMBL1093606

SMILES: [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O

InChI Key: InChIKey=ROFQOIJETQDORD-QHYOMBHZSA-N

Data: 1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50314150   
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
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50314150
PNG
(Arg-Pro-Lys-Arg-Pro-Thr-Thr-Leu-Asn-Leu-Phe | CHEM...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C61H103N19O15/c1-32(2)28-40(51(86)76-43(59(94)95)30-36-16-8-7-9-17-36)73-52(87)42(31-46(64)83)74-50(85)41(29-33(3)4)75-55(90)47(34(5)81)78-56(91)48(35(6)82)77-54(89)45-22-15-27-80(45)58(93)39(20-13-25-70-61(67)68)72-49(84)38(19-10-11-23-62)71-53(88)44-21-14-26-79(44)57(92)37(63)18-12-24-69-60(65)66/h7-9,16-17,32-35,37-45,47-48,81-82H,10-15,18-31,62-63H2,1-6H3,(H2,64,83)(H,71,88)(H,72,84)(H,73,87)(H,74,85)(H,75,90)(H,76,86)(H,77,89)(H,78,91)(H,94,95)(H4,65,66,69)(H4,67,68,70)/t34-,35-,37+,38+,39+,40+,41+,42+,43+,44+,45+,47+,48+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 420n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to JNK1


J Med Chem 53: 3005-12 (2010)


Article DOI: 10.1021/jm9003279
More data for this
Ligand-Target Pair