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BDBM50200461 CHEMBL3946369

SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key: InChIKey=RWPONSQQBPIJRE-BONMBYDBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50200461   
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
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50200461
PNG
(CHEMBL3946369)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C49H83N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-38(58)52-35(29-42(64)65)48(70)56-27-20-21-37(56)46(68)53-34(24-26-41(62)63)45(67)55-43(32(4)57)47(69)50-30-39(59)51-33(23-25-40(60)61)44(66)54-36(49(71)72)28-31(2)3/h31-37,43,57H,5-30H2,1-4H3,(H,50,69)(H,51,59)(H,52,58)(H,53,68)(H,54,66)(H,55,67)(H,60,61)(H,62,63)(H,64,65)(H,71,72)/t32-,33+,34+,35+,36+,37+,43+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1/Nrf2 (unknown origin) interaction assessed as displacement of FITC-betaAla-DEETGEF-OH from Keap1 Kelch domain after 1 hr by FITC-...

J Med Chem 59: 10837-10858 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00586
BindingDB Entry DOI: 10.7270/Q2377BPQ
More data for this
Ligand-Target Pair