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SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)CNC(=O)OC(C)(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(C)(C)C(=O)OC

InChI Key: InChIKey=OLOXFVAQGWREAZ-YXOJZYBMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150690   
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
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))		BDBM50150690
PNG
(CHEMBL409305 | methyl 2-[(2S,3S)-2-[(2S)-2-{2-[(2S...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)CNC(=O)OC(C)(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(C)(C)C(=O)OC
Show InChI InChI=1S/C67H114N12O16/c1-26-39(11)48(71-51(81)44(35(3)4)69-52(82)45(36(5)6)73-58(88)64(17,18)76-43(80)33-68-62(92)95-63(14,15)16)56(86)78-66(21,22)60(90)75-50(41(13)94-34-42-31-29-28-30-32-42)54(84)70-47(38(9)10)55(85)77-65(19,20)59(89)74-46(37(7)8)53(83)72-49(40(12)27-2)57(87)79-67(23,24)61(91)93-25/h28-32,35-41,44-50H,26-27,33-34H2,1-25H3,(H,68,92)(H,69,82)(H,70,84)(H,71,81)(H,72,83)(H,73,88)(H,74,89)(H,75,90)(H,76,80)(H,77,85)(H,78,86)(H,79,87)/t39-,40-,41+,44-,45-,46-,47-,48-,49-,50-/m0/s1
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KEGG

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PubMed
n/an/a 360n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter

J Med Chem 47: 3931-3 (2004)


Article DOI: 10.1021/jm049788c
BindingDB Entry DOI: 10.7270/Q29Z94C2
More data for this
Ligand-Target Pair