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BDBM50287653 1-[(S)-2-((R)-3-Cyclohexyl-butyrylamino)-3-methyl-butyryl]-piperidine-2-carboxylic acid {1-[(S)-2-((1S,2R)-2-hydroxy-1-propylcarbamoyl-propylcarbamoyl)-pyrrolidine-1-carbonyl]-but-3-ynyl}-amide::CHEMBL2373023

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

InChI Key: InChIKey=QAYVHPIPEZWKFC-OLWNUNNSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50287653   
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
HLA class II histocompatibility antigen DRB3-1


(Homo sapiens (Human))		BDBM50287653
PNG
(1-[(S)-2-((R)-3-Cyclohexyl-butyrylamino)-3-methyl-...)
Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC#C)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)C[C@H](C)C1CCCCC1)C(C)C)[C@@H](C)O
Show InChI InChI=1S/C38H62N6O7/c1-7-15-28(37(50)43-22-14-19-30(43)35(48)42-33(26(6)45)36(49)39-20-8-2)40-34(47)29-18-12-13-21-44(29)38(51)32(24(3)4)41-31(46)23-25(5)27-16-10-9-11-17-27/h1,24-30,32-33,45H,8-23H2,2-6H3,(H,39,49)(H,40,47)(H,41,46)(H,42,48)/t25-,26+,28-,29-,30-,32-,33-/m0/s1
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Article
n/an/a 4.37E+4n/an/an/an/an/an/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