BDBM50287636 (S)-3-({1-[(S)-6-Amino-2-((S)-3-cyclohexyl-butyrylamino)-hexanoyl]-piperidine-2-carbonyl}-amino)-4-[(S)-2-((1S,2R)-2-hydroxy-1-propylcarbamoyl-propylcarbamoyl)-pyrrolidin-1-yl]-4-oxo-butyric acid::CHEMBL2373032

SMILES: CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@@H](C)C1CCCCC1)[C@@H](C)O

InChI Key: InChIKey=OQVZHXKPUFQFGF-VQCDWEFOSA-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 = 50287636   

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
HLA class II histocompatibility antigen DRB3-1 (Homo sapiens (Human))	BDBM50287636 ((S)-3-({1-[(S)-6-Amino-2-((S)-3-cyclohexyl-butyryl...) Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@@H](C)C1CCCCC1)[C@@H](C)O Show InChI InChI=1S/C38H65N7O9/c1-4-19-40-36(52)33(25(3)46)43-35(51)30-17-12-21-45(30)38(54)28(23-32(48)49)42-34(50)29-16-9-11-20-44(29)37(53)27(15-8-10-18-39)41-31(47)22-24(2)26-13-6-5-7-14-26/h24-30,33,46H,4-23,39H2,1-3H3,(H,40,52)(H,41,47)(H,42,50)(H,43,51)(H,48,49)/t24-,25-,27+,28+,29+,30+,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to compete for binding to Class II MHC using ELISA assay.				Bioorg Med Chem Lett 6: 1931-1936 (1996) Article DOI: 10.1016/0960-894X(96)00348-4 BindingDB Entry DOI: 10.7270/Q2JM2B31
					More data for this Ligand-Target Pair