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BDBM50287645 1-[(S)-2-(3-Cyclohexyl-propionylamino)-3-methyl-butyryl]-piperidine-2-carboxylic acid ((S)-1-{(S)-2-[(1S,2R)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-2-hydroxy-propylcarbamoyl]-pyrrolidine-1-carbonyl}-pentyl)-amide::CHEMBL2373021

SMILES: CCCC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)CCC1CCCCC1)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O

InChI Key: InChIKey=JXMAVBNVCNTIDU-KNOMIANTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50287645   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
TRAIL receptor-1


(Homo sapiens (Human))		BDBM50287645
PNG
(1-[(S)-2-(3-Cyclohexyl-propionylamino)-3-methyl-bu...)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)CCC1CCCCC1)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C41H71N7O8/c1-7-8-17-29(40(55)47-23-14-19-32(47)38(53)46-35(27(6)49)39(54)44-30(36(42)51)24-25(2)3)43-37(52)31-18-12-13-22-48(31)41(56)34(26(4)5)45-33(50)21-20-28-15-10-9-11-16-28/h25-32,34-35,49H,7-24H2,1-6H3,(H2,42,51)(H,43,52)(H,44,54)(H,45,50)(H,46,53)/t27-,29+,30+,31+,32+,34+,35+/m1/s1
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Similars
Article
n/an/a 755n/an/an/an/an/an/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