BDBM50154562 CHEMBL1271536

SMILES: [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCC

InChI Key: InChIKey=WSQMWXPELJPVCY-XWEVEMRCSA-N

Data: 2 IC50

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 2 hits for monomerid = 50154562   

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
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM50154562 (CHEMBL1271536) Show SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCC |r,t:15| Show InChI InChI=1S/C32H50O4/c1-9-36-26(35)29(5)15-14-28(4)16-17-31(7)20(21(28)19-29)18-22(33)25-30(6)12-11-24(34)27(2,3)23(30)10-13-32(25,31)8/h18,21,23-25,34H,9-17,19H2,1-8H3/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dalian Institute of Chemical Physics Curated by ChEMBL					Assay Description Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst...				Eur J Med Chem 112: 280-8 (2016) BindingDB Entry DOI: 10.7270/Q2TQ63D6
					More data for this Ligand-Target Pair
Carboxylesterase 2 (Homo sapiens (Human))	BDBM50154562 (CHEMBL1271536) Show SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCC |r,t:15| Show InChI InChI=1S/C32H50O4/c1-9-36-26(35)29(5)15-14-28(4)16-17-31(7)20(21(28)19-29)18-22(33)25-30(6)12-11-24(34)27(2,3)23(30)10-13-32(25,31)8/h18,21,23-25,34H,9-17,19H2,1-8H3/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dalian Institute of Chemical Physics Curated by ChEMBL					Assay Description Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...				Eur J Med Chem 112: 280-8 (2016) BindingDB Entry DOI: 10.7270/Q2TQ63D6
					More data for this Ligand-Target Pair