BDBM50287643 (S)-3-({1-[(S)-2-(3-Cyclohexyl-propionylamino)-3-(3H-imidazol-4-yl)-propionyl]-piperidine-2-carbonyl}-amino)-4-{(S)-2-[(1S,2R)-2-hydroxy-1-(3-methyl-butylcarbamoyl)-propylcarbamoyl]-pyrrolidin-1-yl}-4-oxo-butyric acid::CHEMBL2373024

SMILES: CC(C)CCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCC1CCCCC1)[C@@H](C)O

InChI Key: InChIKey=DSAPIWZDZZYGAQ-UCJWBXDVSA-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 = 50287643   

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))	BDBM50287643 ((S)-3-({1-[(S)-2-(3-Cyclohexyl-propionylamino)-3-(...) Show SMILES CC(C)CCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCC1CCCCC1)[C@@H](C)O Show InChI InChI=1S/C39H62N8O9/c1-24(2)16-17-41-37(54)34(25(3)48)45-36(53)31-13-9-19-47(31)39(56)29(21-33(50)51)44-35(52)30-12-7-8-18-46(30)38(55)28(20-27-22-40-23-42-27)43-32(49)15-14-26-10-5-4-6-11-26/h22-26,28-31,34,48H,4-21H2,1-3H3,(H,40,42)(H,41,54)(H,43,49)(H,44,52)(H,45,53)(H,50,51)/t25-,28+,29+,30+,31+,34+/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	3.15E+3	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