BDBM50287649 (S)-3-({1-[2-((R)-3-Cyclohexyl-butyrylamino)-2-phenyl-acetyl]-piperidine-2-carbonyl}-amino)-4-[(S)-2-((1S,2R)-2-hydroxy-1-propylcarbamoyl-propylcarbamoyl)-pyrrolidin-1-yl]-4-oxo-butyric acid::CHEMBL2373026

SMILES: CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)C[C@H](C)C1CCCCC1)c1ccccc1)[C@@H](C)O

InChI Key: InChIKey=KYLSUQKYTGPUJA-YLISQPTESA-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 = 50287649   

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))	BDBM50287649 ((S)-3-({1-[2-((R)-3-Cyclohexyl-butyrylamino)-2-phe...) 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](NC(=O)C[C@H](C)C1CCCCC1)c1ccccc1)[C@@H](C)O Show InChI InChI=1S/C40H60N6O9/c1-4-20-41-38(53)34(26(3)47)44-37(52)31-19-13-22-45(31)39(54)29(24-33(49)50)42-36(51)30-18-11-12-21-46(30)40(55)35(28-16-9-6-10-17-28)43-32(48)23-25(2)27-14-7-5-8-15-27/h6,9-10,16-17,25-27,29-31,34-35,47H,4-5,7-8,11-15,18-24H2,1-3H3,(H,41,53)(H,42,51)(H,43,48)(H,44,52)(H,49,50)/t25-,26+,29-,30-,31-,34-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	424	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