BDBM50192759 CHEMBL3960195

SMILES: CC(C)[C@H]1N(Cc2cn(nc12)-c1cccc(c1)S(C)(=O)=O)c1cc(ncn1)C(F)(F)F

InChI Key: InChIKey=OMMCNHJJHLQJHQ-LJQANCHMSA-N

Data: 2 KI  3 IC50  2 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 7 hits for monomerid = 50192759   

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
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50192759 (CHEMBL3960195) Show SMILES CC(C)[C@H]1N(Cc2cn(nc12)-c1cccc(c1)S(C)(=O)=O)c1cc(ncn1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N5O2S/c1-12(2)19-18-13(9-27(19)17-8-16(20(21,22)23)24-11-25-17)10-28(26-18)14-5-4-6-15(7-14)31(3,29)30/h4-8,10-12,19H,9H2,1-3H3/t19-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled T0901317 from LXRbeta LBD (unknown origin)				Bioorg Med Chem Lett 26: 5044-5050 (2016) BindingDB Entry DOI: 10.7270/Q28P62GC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50192759 (CHEMBL3960195) Show SMILES CC(C)[C@H]1N(Cc2cn(nc12)-c1cccc(c1)S(C)(=O)=O)c1cc(ncn1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N5O2S/c1-12(2)19-18-13(9-27(19)17-8-16(20(21,22)23)24-11-25-17)10-28(26-18)14-5-4-6-15(7-14)31(3,29)30/h4-8,10-12,19H,9H2,1-3H3/t19-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled T0901317 from LXRalpha LBD (unknown origin)				Bioorg Med Chem Lett 26: 5044-5050 (2016) BindingDB Entry DOI: 10.7270/Q28P62GC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50192759 (CHEMBL3960195) Show SMILES CC(C)[C@H]1N(Cc2cn(nc12)-c1cccc(c1)S(C)(=O)=O)c1cc(ncn1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N5O2S/c1-12(2)19-18-13(9-27(19)17-8-16(20(21,22)23)24-11-25-17)10-28(26-18)14-5-4-6-15(7-14)31(3,29)30/h4-8,10-12,19H,9H2,1-3H3/t19-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	199	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at LXRalpha LBD (unknown origin) fused with Gal4-DNA binding domain expressed in HEK293 cells assessed as modulation of receptor tra...				Bioorg Med Chem Lett 26: 5044-5050 (2016) BindingDB Entry DOI: 10.7270/Q28P62GC
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50192759 (CHEMBL3960195) Show SMILES CC(C)[C@H]1N(Cc2cn(nc12)-c1cccc(c1)S(C)(=O)=O)c1cc(ncn1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N5O2S/c1-12(2)19-18-13(9-27(19)17-8-16(20(21,22)23)24-11-25-17)10-28(26-18)14-5-4-6-15(7-14)31(3,29)30/h4-8,10-12,19H,9H2,1-3H3/t19-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 26: 5044-5050 (2016) BindingDB Entry DOI: 10.7270/Q28P62GC
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50192759 (CHEMBL3960195) Show SMILES CC(C)[C@H]1N(Cc2cn(nc12)-c1cccc(c1)S(C)(=O)=O)c1cc(ncn1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N5O2S/c1-12(2)19-18-13(9-27(19)17-8-16(20(21,22)23)24-11-25-17)10-28(26-18)14-5-4-6-15(7-14)31(3,29)30/h4-8,10-12,19H,9H2,1-3H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 26: 5044-5050 (2016) BindingDB Entry DOI: 10.7270/Q28P62GC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50192759 (CHEMBL3960195) Show SMILES CC(C)[C@H]1N(Cc2cn(nc12)-c1cccc(c1)S(C)(=O)=O)c1cc(ncn1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N5O2S/c1-12(2)19-18-13(9-27(19)17-8-16(20(21,22)23)24-11-25-17)10-28(26-18)14-5-4-6-15(7-14)31(3,29)30/h4-8,10-12,19H,9H2,1-3H3/t19-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at LXRbeta LBD (unknown origin) fused with Gal4-DNA binding domain expressed in HEK293 cells assessed as modulation of receptor tran...				Bioorg Med Chem Lett 26: 5044-5050 (2016) BindingDB Entry DOI: 10.7270/Q28P62GC
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50192759 (CHEMBL3960195) Show SMILES CC(C)[C@H]1N(Cc2cn(nc12)-c1cccc(c1)S(C)(=O)=O)c1cc(ncn1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N5O2S/c1-12(2)19-18-13(9-27(19)17-8-16(20(21,22)23)24-11-25-17)10-28(26-18)14-5-4-6-15(7-14)31(3,29)30/h4-8,10-12,19H,9H2,1-3H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 26: 5044-5050 (2016) BindingDB Entry DOI: 10.7270/Q28P62GC
					More data for this Ligand-Target Pair