BDBM50462208 CHEMBL4243641

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](N)CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC1=O)C(N)=O

InChI Key: InChIKey=YVNJUSMTPJJUGG-SQDYOIKASA-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 = 50462208   

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))	BDBM50462208 (CHEMBL4243641) 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](N)CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC1=O)C(N)=O |r| Show InChI InChI=1S/C31H47N9O17S2/c1-12(41)24-31(57)34-9-19(42)35-14(2-5-20(43)44)27(53)39-18(25(33)51)11-59-58-10-13(32)26(52)38-17(8-23(49)50)30(56)37-15(3-6-21(45)46)28(54)36-16(29(55)40-24)4-7-22(47)48/h12-18,24,41H,2-11,32H2,1H3,(H2,33,51)(H,34,57)(H,35,42)(H,36,54)(H,37,56)(H,38,52)(H,39,53)(H,40,55)(H,43,44)(H,45,46)(H,47,48)(H,49,50)/t12-,13+,14+,15+,16+,17+,18+,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	275	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