BDBM50462212 CHEMBL4239409

SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC1=O)C(O)=O)NC(C)=O

InChI Key: InChIKey=KTEQAUXKLYRSOK-JFERZGRSSA-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 = 50462212   

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
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50462212 (CHEMBL4239409) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC1=O)C(O)=O)NC(C)=O |r| Show InChI InChI=1S/C33H48N8O19S2/c1-13(42)26-32(58)34-10-21(44)36-15(3-6-22(45)46)27(53)40-20(33(59)60)12-62-61-11-19(35-14(2)43)31(57)39-18(9-25(51)52)30(56)38-16(4-7-23(47)48)28(54)37-17(29(55)41-26)5-8-24(49)50/h13,15-20,26,42H,3-12H2,1-2H3,(H,34,58)(H,35,43)(H,36,44)(H,37,54)(H,38,56)(H,39,57)(H,40,53)(H,41,55)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,59,60)/t13-,15+,16+,17+,18+,19+,20+,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Displacement of F-14 from Keap1 Kelch domain (unknown origin) expressed in Escherichia coli BL21 (DE3) after 15 mins by fluorescence polarization ass...				Bioorg Med Chem Lett 28: 2728-2731 (2018) Article DOI: 10.1016/j.bmcl.2018.03.003 BindingDB Entry DOI: 10.7270/Q2QC065N
					More data for this Ligand-Target Pair