BDBM50051881 1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[1,3]dioxan-5-yl]-butyl}-3,5-dimethyl-1H-pyrazole::CHEMBL30860

SMILES: Cc1cc(C)n(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1

InChI Key: InChIKey=MTDRWJLSTNOLOR-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50051881   

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, Soat (Rattus norvegicus)	BDBM50051881 (1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...) Show SMILES Cc1cc(C)n(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 |(17.48,-4.71,;16.19,-5.55,;14.76,-4.99,;13.79,-6.2,;12.25,-6.13,;14.64,-7.49,;14.24,-8.98,;12.75,-9.39,;12.35,-10.86,;10.86,-11.26,;10.45,-12.74,;11.77,-13.51,;9.19,-13.16,;7.56,-12.54,;6.79,-13.89,;7.98,-13.47,;9.69,-14.08,;5.45,-13.12,;5.04,-11.63,;3.5,-11.56,;2.96,-12.98,;4.15,-13.96,;1.48,-13.4,;.38,-12.31,;-1.09,-12.7,;-1.49,-14.2,;-.39,-15.28,;1.08,-14.87,;2.66,-10.26,;3.36,-8.88,;2.52,-7.6,;.99,-7.69,;.29,-9.07,;1.13,-10.35,;16.12,-7.08,)| Show InChI InChI=1S/C29H34N4O2/c1-21-18-22(2)33(32-21)17-11-10-16-29(3)19-34-28(35-20-29)27-30-25(23-12-6-4-7-13-23)26(31-27)24-14-8-5-9-15-24/h4-9,12-15,18,28H,10-11,16-17,19-20H2,1-3H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50051881 (1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...) Show SMILES Cc1cc(C)n(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 |(17.48,-4.71,;16.19,-5.55,;14.76,-4.99,;13.79,-6.2,;12.25,-6.13,;14.64,-7.49,;14.24,-8.98,;12.75,-9.39,;12.35,-10.86,;10.86,-11.26,;10.45,-12.74,;11.77,-13.51,;9.19,-13.16,;7.56,-12.54,;6.79,-13.89,;7.98,-13.47,;9.69,-14.08,;5.45,-13.12,;5.04,-11.63,;3.5,-11.56,;2.96,-12.98,;4.15,-13.96,;1.48,-13.4,;.38,-12.31,;-1.09,-12.7,;-1.49,-14.2,;-.39,-15.28,;1.08,-14.87,;2.66,-10.26,;3.36,-8.88,;2.52,-7.6,;.99,-7.69,;.29,-9.07,;1.13,-10.35,;16.12,-7.08,)| Show InChI InChI=1S/C29H34N4O2/c1-21-18-22(2)33(32-21)17-11-10-16-29(3)19-34-28(35-20-29)27-30-25(23-12-6-4-7-13-23)26(31-27)24-14-8-5-9-15-24/h4-9,12-15,18,28H,10-11,16-17,19-20H2,1-3H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50051881 (1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...) Show SMILES Cc1cc(C)n(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 |(17.48,-4.71,;16.19,-5.55,;14.76,-4.99,;13.79,-6.2,;12.25,-6.13,;14.64,-7.49,;14.24,-8.98,;12.75,-9.39,;12.35,-10.86,;10.86,-11.26,;10.45,-12.74,;11.77,-13.51,;9.19,-13.16,;7.56,-12.54,;6.79,-13.89,;7.98,-13.47,;9.69,-14.08,;5.45,-13.12,;5.04,-11.63,;3.5,-11.56,;2.96,-12.98,;4.15,-13.96,;1.48,-13.4,;.38,-12.31,;-1.09,-12.7,;-1.49,-14.2,;-.39,-15.28,;1.08,-14.87,;2.66,-10.26,;3.36,-8.88,;2.52,-7.6,;.99,-7.69,;.29,-9.07,;1.13,-10.35,;16.12,-7.08,)| Show InChI InChI=1S/C29H34N4O2/c1-21-18-22(2)33(32-21)17-11-10-16-29(3)19-34-28(35-20-29)27-30-25(23-12-6-4-7-13-23)26(31-27)24-14-8-5-9-15-24/h4-9,12-15,18,28H,10-11,16-17,19-20H2,1-3H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50051881 (1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...) Show SMILES Cc1cc(C)n(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 |(17.48,-4.71,;16.19,-5.55,;14.76,-4.99,;13.79,-6.2,;12.25,-6.13,;14.64,-7.49,;14.24,-8.98,;12.75,-9.39,;12.35,-10.86,;10.86,-11.26,;10.45,-12.74,;11.77,-13.51,;9.19,-13.16,;7.56,-12.54,;6.79,-13.89,;7.98,-13.47,;9.69,-14.08,;5.45,-13.12,;5.04,-11.63,;3.5,-11.56,;2.96,-12.98,;4.15,-13.96,;1.48,-13.4,;.38,-12.31,;-1.09,-12.7,;-1.49,-14.2,;-.39,-15.28,;1.08,-14.87,;2.66,-10.26,;3.36,-8.88,;2.52,-7.6,;.99,-7.69,;.29,-9.07,;1.13,-10.35,;16.12,-7.08,)| Show InChI InChI=1S/C29H34N4O2/c1-21-18-22(2)33(32-21)17-11-10-16-29(3)19-34-28(35-20-29)27-30-25(23-12-6-4-7-13-23)26(31-27)24-14-8-5-9-15-24/h4-9,12-15,18,28H,10-11,16-17,19-20H2,1-3H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% activity of the rabbit liver Acyl coenzyme A:choleste...				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Sterol O-acyltransferase, Soat (Rattus norvegicus)	BDBM50051881 (1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...) Show SMILES Cc1cc(C)n(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 |(17.48,-4.71,;16.19,-5.55,;14.76,-4.99,;13.79,-6.2,;12.25,-6.13,;14.64,-7.49,;14.24,-8.98,;12.75,-9.39,;12.35,-10.86,;10.86,-11.26,;10.45,-12.74,;11.77,-13.51,;9.19,-13.16,;7.56,-12.54,;6.79,-13.89,;7.98,-13.47,;9.69,-14.08,;5.45,-13.12,;5.04,-11.63,;3.5,-11.56,;2.96,-12.98,;4.15,-13.96,;1.48,-13.4,;.38,-12.31,;-1.09,-12.7,;-1.49,-14.2,;-.39,-15.28,;1.08,-14.87,;2.66,-10.26,;3.36,-8.88,;2.52,-7.6,;.99,-7.69,;.29,-9.07,;1.13,-10.35,;16.12,-7.08,)| Show InChI InChI=1S/C29H34N4O2/c1-21-18-22(2)33(32-21)17-11-10-16-29(3)19-34-28(35-20-29)27-30-25(23-12-6-4-7-13-23)26(31-27)24-14-8-5-9-15-24/h4-9,12-15,18,28H,10-11,16-17,19-20H2,1-3H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50051881 (1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...) Show SMILES Cc1cc(C)n(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 |(17.48,-4.71,;16.19,-5.55,;14.76,-4.99,;13.79,-6.2,;12.25,-6.13,;14.64,-7.49,;14.24,-8.98,;12.75,-9.39,;12.35,-10.86,;10.86,-11.26,;10.45,-12.74,;11.77,-13.51,;9.19,-13.16,;7.56,-12.54,;6.79,-13.89,;7.98,-13.47,;9.69,-14.08,;5.45,-13.12,;5.04,-11.63,;3.5,-11.56,;2.96,-12.98,;4.15,-13.96,;1.48,-13.4,;.38,-12.31,;-1.09,-12.7,;-1.49,-14.2,;-.39,-15.28,;1.08,-14.87,;2.66,-10.26,;3.36,-8.88,;2.52,-7.6,;.99,-7.69,;.29,-9.07,;1.13,-10.35,;16.12,-7.08,)| Show InChI InChI=1S/C29H34N4O2/c1-21-18-22(2)33(32-21)17-11-10-16-29(3)19-34-28(35-20-29)27-30-25(23-12-6-4-7-13-23)26(31-27)24-14-8-5-9-15-24/h4-9,12-15,18,28H,10-11,16-17,19-20H2,1-3H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% activity of the rabbit artery Acyl coenzyme A:cholest...				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair