BindingDB PrimarySearch

BDBM382356 US10273259, Example 69::US10711020, Example 69

SMILES: OC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=ONXFNBOZJKXCNC-ZJSXRUAMSA-N

Data: 13 IC50 11 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 382356
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
Nuclear receptor ROR-gamma (Mus musculus)	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				Bioorg Med Chem Lett 18: 3456-61 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KG7
IRBM/Merck					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Mus musculus)	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in mouse cells by mTh17 assay				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at RORalpha (unknown origin) by Gal4-Luc reporter gene assay				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear receptor ROR-beta (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at RORbeta (unknown origin) by Gal4-Luc reporter gene assay				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>7.50E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at LXRbeta (unknown origin) by Gal4-Luc reporter gene assay				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant CYP1A2 (unknown origin)				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C8 (unknown origin)				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2D6 (unknown origin)				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant CYP3A4 (unknown origin) using BFC substrate				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 Inverse agonist activity at full length human RORgammat expressed in human Jurkat cells assessed as inhibition of constitutive receptor activity incu...				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Activity at PXR (unknown origin)				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Activity at LXRbeta (unknown origin)				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>7.50E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at LXRalpha (unknown origin) by Gal4-Luc reporter gene assay				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear receptor ROR-beta (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Activity at RORbeta (unknown origin)				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Activity at LXRalpha (unknown origin)				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at PXR (unknown origin) by Gal4-Luc reporter gene assay)				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C19 (unknown origin)				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Mus musculus)	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	440	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in CD3/CD28/IL-1/IL-23-stimulated C57/B6 mouse whole blood assessed as reduction in IL17A production incubated ...				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C9 (unknown origin)				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Activity at RORalpha (unknown origin)				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in CD3 and CD28-stimulated human whole blood assessed as reduction in IL17A production incubated for 1 hr befor...				J Med Chem 62: 9931-9946 (2019) Article DOI: 10.1021/acs.jmedchem.9b01369
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
Bristol Myers Squibb Company Curated by ChEMBL					Assay Description Inverse agonist activity at human Gal4-fused RORgammat expressed in human Jurkat cells assessed as inhibition of constitutive receptor activity measu...				ACS Med Chem Lett 11: 1221-1227 (2020)
Bristol Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
Bristol Myers Squibb Company Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in CD3 and CD28-stimulated human whole blood assessed as suppression of IL17 incubated for 1 hr before CD3 and ...				ACS Med Chem Lett 11: 1221-1227 (2020)
Bristol Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM382356 (US10273259, Example 69 \| US10711020, Example 69) Show SMILES Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020)
Bristol-Myers Squibb Company US Patent					More data for this Ligand-Target Pair