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BDBM50045529 CHEMBL3311374

SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OCC(=O)N1CCOCC1)[C@H](C)CCCC(C)C

InChI Key: InChIKey=MHJNIFPTUPTBCA-NISAUSBYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50045529   
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
Niemann-Pick C1-like protein 1


(Homo sapiens (Human))
BDBM50045529
PNG
(CHEMBL3311374)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCC(=O)N1CCOCC1
Show InChI InChI=1S/C33H55NO4/c1-22(2)7-6-8-23(3)26-9-10-27-31-28(12-14-33(26,27)5)32(4)13-11-25(19-24(32)20-29(31)35)38-21-30(36)34-15-17-37-18-16-34/h20,22-23,25-29,31,35H,6-19,21H2,1-5H3/t23-,25+,26-,27+,28+,29+,31+,32+,33-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

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



The University of Tokyo

Curated by ChEMBL


Assay Description
Binding affinity to FLAG/tGFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as localization after 24 hrs by fluoresce...


Bioorg Med Chem Lett 24: 3480-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.064
BindingDB Entry DOI: 10.7270/Q2HX1F8X
More data for this
Ligand-Target Pair