BDBM50079842 CHEMBL292053::N-Butyl-N'-{(S)-2-[(R)-3-(3-cyclohexyl-propylamino)-2-oxo-pyrrolidin-1-yl]-pentanoyl}-hydrazinecarboxylic acid ethyl ester

SMILES: CCCCN(NC(=O)[C@H](CCC)N1CC[C@@H](NCCCC2CCCCC2)C1=O)C(=O)OCC

InChI Key: InChIKey=WJTSWJAUWANESO-YADHBBJMSA-N

Data: 1 IC50

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 = 50079842   

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
MHC class II (Rattus norvegicus)	BDBM50079842 (CHEMBL292053 | N-Butyl-N'-{(S)-2-[(R)-3-(3-cyclohe...) Show SMILES CCCCN(NC(=O)[C@H](CCC)N1CC[C@@H](NCCCC2CCCCC2)C1=O)C(=O)OCC Show InChI InChI=1S/C25H46N4O4/c1-4-7-18-29(25(32)33-6-3)27-23(30)22(12-5-2)28-19-16-21(24(28)31)26-17-11-15-20-13-9-8-10-14-20/h20-22,26H,4-19H2,1-3H3,(H,27,30)/t21-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...				Bioorg Med Chem Lett 9: 2115-8 (1999) BindingDB Entry DOI: 10.7270/Q2J67G3F
					More data for this Ligand-Target Pair