BindingDB PrimarySearch

BDBM50204072 CHEMBL3945199::US10543183, Compound 12::US10945978, Compound 12

SMILES: CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O

InChI Key: InChIKey=HNAJDMYOTDNOBK-UHFFFAOYSA-N

Data: 2 KI 1 IC50 10 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50204072
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50204072 (CHEMBL3945199 \| US10543183, Compound 12 \| US109459...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50204072 (CHEMBL3945199 \| US10543183, Compound 12 \| US109459...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50204072 (CHEMBL3945199 \| US10543183, Compound 12 \| US109459...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human LXR-alpha expressed in African green monkey CV1 cells measured after 18 to 20 hrs in presence of LXR pan agonist 1-(2,4-...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50204072 (CHEMBL3945199 \| US10543183, Compound 12 \| US109459...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at LXR-beta in human HeLa cells assessed as induction of ABCA1 by beta-galactosidase/luciferase reporter gene assay				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50204072 (CHEMBL3945199 \| US10543183, Compound 12 \| US109459...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at LXR-beta in human whole blood assessed as ABCG1 gene induction by measuring ABCA1 mRNA level after 4 hrs by SYBR-Green dye-based ...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50204072 (CHEMBL3945199 \| US10543183, Compound 12 \| US109459...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human LXR-alpha expressed in African green monkey CV1 cells measured after 18 to 20 hrs by luciferase reporter gene assay				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50204072 (CHEMBL3945199 \| US10543183, Compound 12 \| US109459...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at LXR-beta in human whole blood assessed as ABCA1 gene induction by measuring ABCA1 mRNA level after 4 hrs by SYBR-Green dye-based ...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Pregnane X receptor (Homo sapiens (Human))	BDBM50204072 (CHEMBL3945199 \| US10543183, Compound 12 \| US109459...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human PXR expressed in human HepG2 cells assessed as induction of CYP3A4 measured after 24 hrs by AlamarBlue dye-based luciferase...				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50204072 (CHEMBL3945199 \| US10543183, Compound 12 \| US109459...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
The Rockefeller University US Patent					Assay Description As used herein, reference to the activity of an LXR agonist at LXRα and LXRβ refer to the activity as measured using the ligand sensing ass...				US Patent US10543183 (2020) BindingDB Entry DOI: 10.7270/Q2JW8H8C
The Rockefeller University US Patent					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50204072 (CHEMBL3945199 \| US10543183, Compound 12 \| US109459...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
The Rockefeller University US Patent					Assay Description As used herein, reference to the activity of an LXR agonist at LXRα and LXRβ refer to the activity as measured using the ligand sensing ass...				US Patent US10543183 (2020) BindingDB Entry DOI: 10.7270/Q2JW8H8C
The Rockefeller University US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50204072 (CHEMBL3945199 \| US10543183, Compound 12 \| US109459...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
The Rockefeller University US Patent					Assay Description As used herein, reference to the activity of an LXR agonist at LXRα and LXRβ refer to the activity as measured using the ligand sensing ass...				US Patent US10945978 (2021)
The Rockefeller University US Patent					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50204072 (CHEMBL3945199 \| US10543183, Compound 12 \| US109459...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human LXR-beta expressed in African green monkey CV1 cells measured after 18 to 20 hrs by luciferase reporter gene assay				ACS Med Chem Lett 7: 1207-1212 (2016) Article DOI: 10.1021/acsmedchemlett.6b00234 BindingDB Entry DOI: 10.7270/Q2V98B13
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50204072 (CHEMBL3945199 \| US10543183, Compound 12 \| US109459...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
The Rockefeller University US Patent					Assay Description As used herein, reference to the activity of an LXR agonist at LXRα and LXRβ refer to the activity as measured using the ligand sensing ass...				US Patent US10945978 (2021)
The Rockefeller University US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)