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BDBM50287650 (S)-3-({1-[2-Cyclohexyl-2-((R)-3-cyclohexyl-butyrylamino)-acetyl]-piperidine-2-carbonyl}-amino)-4-[(S)-2-((1S,2R)-2-hydroxy-1-propylcarbamoyl-propylcarbamoyl)-pyrrolidin-1-yl]-4-oxo-butyric acid::CHEMBL2373033

SMILES: CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)CCC1CCCCC1)C(C)C)[C@@H](C)O

InChI Key: InChIKey=ZUDPMLAPPADHPO-FKZYMROUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50287650   
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))		BDBM50287650
PNG
((S)-3-({1-[2-Cyclohexyl-2-((R)-3-cyclohexyl-butyry...)
Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)CCC1CCCCC1)C(C)C)[C@@H](C)O
Show InChI InChI=1S/C36H60N6O9/c1-5-18-37-34(49)31(23(4)43)40-33(48)27-15-11-20-41(27)35(50)25(21-29(45)46)38-32(47)26-14-9-10-19-42(26)36(51)30(22(2)3)39-28(44)17-16-24-12-7-6-8-13-24/h22-27,30-31,43H,5-21H2,1-4H3,(H,37,49)(H,38,47)(H,39,44)(H,40,48)(H,45,46)/t23-,25+,26+,27+,30+,31+/m1/s1
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Article
n/an/a 130n/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