BDBM50461446 CHEMBL4227742

SMILES: CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C

InChI Key: InChIKey=HOXGICVBHXJSEI-BJDJZHNGSA-N

Data: 4 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 4 hits for monomerid = 50461446   

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
Sterol O-acyltransferase 2 (Chlorocebus aethiops)	BDBM50461446 (CHEMBL4227742) Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C |r| Show InChI InChI=1S/C16H26Cl6N2O2/c1-6-13(25)11(7-9(2)15(17,18)19)23-14(26)12(24(4)5)8-10(3)16(20,21)22/h9-12H,6-8H2,1-5H3,(H,23,26)/t9-,10-,11-,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Medical and Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs				Bioorg Med Chem Lett 28: 1911-1914 (2018) Article DOI: 10.1016/j.bmcl.2018.03.077 BindingDB Entry DOI: 10.7270/Q25Q4ZRC
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Chlorocebus aethiops)	BDBM50461446 (CHEMBL4227742) Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C |r| Show InChI InChI=1S/C16H26Cl6N2O2/c1-6-13(25)11(7-9(2)15(17,18)19)23-14(26)12(24(4)5)8-10(3)16(20,21)22/h9-12H,6-8H2,1-5H3,(H,23,26)/t9-,10-,11-,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Medical and Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs				Bioorg Med Chem Lett 28: 1911-1914 (2018) Article DOI: 10.1016/j.bmcl.2018.03.077 BindingDB Entry DOI: 10.7270/Q25Q4ZRC
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Chlorocebus aethiops)	BDBM50461446 (CHEMBL4227742) Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C |r| Show InChI InChI=1S/C16H26Cl6N2O2/c1-6-13(25)11(7-9(2)15(17,18)19)23-14(26)12(24(4)5)8-10(3)16(20,21)22/h9-12H,6-8H2,1-5H3,(H,23,26)/t9-,10-,11-,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Medical and Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of African green monkey SOAT2 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...				Bioorg Med Chem Lett 28: 1911-1914 (2018) Article DOI: 10.1016/j.bmcl.2018.03.077 BindingDB Entry DOI: 10.7270/Q25Q4ZRC
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Chlorocebus aethiops)	BDBM50461446 (CHEMBL4227742) Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C |r| Show InChI InChI=1S/C16H26Cl6N2O2/c1-6-13(25)11(7-9(2)15(17,18)19)23-14(26)12(24(4)5)8-10(3)16(20,21)22/h9-12H,6-8H2,1-5H3,(H,23,26)/t9-,10-,11-,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Medical and Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of African green monkey SOAT1 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...				Bioorg Med Chem Lett 28: 1911-1914 (2018) Article DOI: 10.1016/j.bmcl.2018.03.077 BindingDB Entry DOI: 10.7270/Q25Q4ZRC
					More data for this Ligand-Target Pair