BDBM50287654 (S)-4-((S)-2-Carbamoyl-pyrrolidin-1-yl)-3-({1-[(S)-2-((R)-3-cyclohexyl-butyrylamino)-3-methyl-butyryl]-piperidine-2-carbonyl}-amino)-4-oxo-butyric acid::CHEMBL2373020

SMILES: CC(C)[C@H](NC(=O)C[C@H](C)C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(N)=O

InChI Key: InChIKey=JSLHLNVBLWDMSU-OPTWNZHXSA-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 = 50287654   

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))	BDBM50287654 ((S)-4-((S)-2-Carbamoyl-pyrrolidin-1-yl)-3-({1-[(S)...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](C)C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(N)=O Show InChI InChI=1S/C30H49N5O7/c1-18(2)26(33-24(36)16-19(3)20-10-5-4-6-11-20)30(42)35-14-8-7-12-23(35)28(40)32-21(17-25(37)38)29(41)34-15-9-13-22(34)27(31)39/h18-23,26H,4-17H2,1-3H3,(H2,31,39)(H,32,40)(H,33,36)(H,37,38)/t19-,21-,22-,23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.33E+4	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