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BDBM50200463 CHEMBL3967367

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(O)=O

InChI Key: InChIKey=UOKMQGGZFQDIRY-PWMJGJELSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50200463   
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
Kelch-like ECH-associated protein 1


(Homo sapiens (Human))		BDBM50200463
PNG
(CHEMBL3967367)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(O)=O |r|
Show InChI InChI=1S/C42H60N8O19/c1-20(2)16-29(42(68)69)49-39(65)27(17-23-8-6-5-7-9-23)48-36(62)24(10-13-31(54)55)45-30(53)19-43-41(67)35(21(3)51)50-38(64)26(12-15-33(58)59)46-37(63)25(11-14-32(56)57)47-40(66)28(18-34(60)61)44-22(4)52/h5-9,20-21,24-29,35,51H,10-19H2,1-4H3,(H,43,67)(H,44,52)(H,45,53)(H,46,63)(H,47,66)(H,48,62)(H,49,65)(H,50,64)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,68,69)/t21-,24+,25+,26+,27+,28+,29+,35+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.39E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli interaction with Nrf2 a...

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