BDBM50264806 CHEMBL4066339

SMILES: OC(=O)C[C@@H]1COC2(C1)CCN(CC2)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F

InChI Key: InChIKey=GXUZUPUMLJASRP-AWEZNQCLSA-N

Data: 5 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 5 hits for monomerid = 50264806   

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
Diacylglycerol O-acyltransferase 1 (DGAT1) (Homo sapiens (Human))	BDBM50264806 (CHEMBL4066339) Show SMILES OC(=O)C[C@@H]1COC2(C1)CCN(CC2)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F3N4O3/c24-23(25,26)16-2-3-17-18(10-16)29-21(28-17)15-1-4-19(27-12-15)30-7-5-22(6-8-30)11-14(13-33-22)9-20(31)32/h1-4,10,12,14H,5-9,11,13H2,(H,28,29)(H,31,32)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of human DGAT1 expressed in yeast membrane fraction assessed as inhibition of triglyceride formation using diolein/oleoyl-CoA as substrate...				J Med Chem 60: 3594-3605 (2017) Article DOI: 10.1021/acs.jmedchem.6b01543 BindingDB Entry DOI: 10.7270/Q290267S
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50264806 (CHEMBL4066339) Show SMILES OC(=O)C[C@@H]1COC2(C1)CCN(CC2)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F3N4O3/c24-23(25,26)16-2-3-17-18(10-16)29-21(28-17)15-1-4-19(27-12-15)30-7-5-22(6-8-30)11-14(13-33-22)9-20(31)32/h1-4,10,12,14H,5-9,11,13H2,(H,28,29)(H,31,32)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 60: 3594-3605 (2017) Article DOI: 10.1021/acs.jmedchem.6b01543 BindingDB Entry DOI: 10.7270/Q290267S
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50264806 (CHEMBL4066339) Show SMILES OC(=O)C[C@@H]1COC2(C1)CCN(CC2)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F3N4O3/c24-23(25,26)16-2-3-17-18(10-16)29-21(28-17)15-1-4-19(27-12-15)30-7-5-22(6-8-30)11-14(13-33-22)9-20(31)32/h1-4,10,12,14H,5-9,11,13H2,(H,28,29)(H,31,32)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of PXR (unknown origin)				J Med Chem 60: 3594-3605 (2017) Article DOI: 10.1021/acs.jmedchem.6b01543 BindingDB Entry DOI: 10.7270/Q290267S
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50264806 (CHEMBL4066339) Show SMILES OC(=O)C[C@@H]1COC2(C1)CCN(CC2)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F3N4O3/c24-23(25,26)16-2-3-17-18(10-16)29-21(28-17)15-1-4-19(27-12-15)30-7-5-22(6-8-30)11-14(13-33-22)9-20(31)32/h1-4,10,12,14H,5-9,11,13H2,(H,28,29)(H,31,32)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 60: 3594-3605 (2017) Article DOI: 10.1021/acs.jmedchem.6b01543 BindingDB Entry DOI: 10.7270/Q290267S
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50264806 (CHEMBL4066339) Show SMILES OC(=O)C[C@@H]1COC2(C1)CCN(CC2)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r| Show InChI InChI=1S/C23H23F3N4O3/c24-23(25,26)16-2-3-17-18(10-16)29-21(28-17)15-1-4-19(27-12-15)30-7-5-22(6-8-30)11-14(13-33-22)9-20(31)32/h1-4,10,12,14H,5-9,11,13H2,(H,28,29)(H,31,32)/t14-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of MK499 binding to human ERG				J Med Chem 60: 3594-3605 (2017) Article DOI: 10.1021/acs.jmedchem.6b01543 BindingDB Entry DOI: 10.7270/Q290267S
					More data for this Ligand-Target Pair