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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50045529   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Niemann-Pick C1-like protein 1 (Homo sapiens (Human))	BDBM50045529 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	360	n/a	n/a	n/a	n/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