BDBM50287634 (S)-4-[(S)-2-((1S,2R)-1-Carbamoyl-2-hydroxy-propylcarbamoyl)-pyrrolidin-1-yl]-3-({1-[(S)-2-((R)-3-cyclohexyl-butyrylamino)-3-methyl-butyryl]-piperidine-2-carbonyl}-amino)-4-oxo-butyric acid::CHEMBL2373027

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(=O)N[C@@H]([C@@H](C)O)C(N)=O

InChI Key: InChIKey=ROUAKXRZOZSRIH-STBKEEHMSA-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 = 50287634   

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
TRAIL receptor-1 (Homo sapiens (Human))	BDBM50287634 ((S)-4-[(S)-2-((1S,2R)-1-Carbamoyl-2-hydroxy-propyl...) 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(=O)N[C@@H]([C@@H](C)O)C(N)=O Show InChI InChI=1S/C34H56N6O9/c1-19(2)28(37-26(42)17-20(3)22-11-6-5-7-12-22)34(49)40-15-9-8-13-24(40)31(46)36-23(18-27(43)44)33(48)39-16-10-14-25(39)32(47)38-29(21(4)41)30(35)45/h19-25,28-29,41H,5-18H2,1-4H3,(H2,35,45)(H,36,46)(H,37,42)(H,38,47)(H,43,44)/t20-,21+,23-,24-,25-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability to compete for binding to DR4 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