null

SMILES: [H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50553584   

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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50553584 (CHEMBL4763134) Show SMILES [H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127521 BindingDB Entry DOI: 10.7270/Q2SN0DMB
					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM50553584 (CHEMBL4763134) Show SMILES [H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r| 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
TBA					Assay Description Inhibition of GAL4-fused RORalpha (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127521 BindingDB Entry DOI: 10.7270/Q2SN0DMB
					More data for this Ligand-Target Pair
Nuclear receptor ROR-beta (Homo sapiens (Human))	BDBM50553584 (CHEMBL4763134) Show SMILES [H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of GAL4-fused RORbeta (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127521 BindingDB Entry DOI: 10.7270/Q2SN0DMB
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Mus musculus)	BDBM50553584 (CHEMBL4763134) Show SMILES [H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r| 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	2	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at RORgammat in mouse Th17 cells				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127521 BindingDB Entry DOI: 10.7270/Q2SN0DMB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50553584 (CHEMBL4763134) Show SMILES [H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity of PXR (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127521 BindingDB Entry DOI: 10.7270/Q2SN0DMB
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50553584 (CHEMBL4763134) Show SMILES [H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.20E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity of LXRalpha (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127521 BindingDB Entry DOI: 10.7270/Q2SN0DMB
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GSC2 (Saccharomyces cerevisiae)	BDBM50553584 (CHEMBL4763134) Show SMILES [H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG by patch clamp assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127521 BindingDB Entry DOI: 10.7270/Q2SN0DMB
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50553584 (CHEMBL4763134) Show SMILES [H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r| 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
TBA					Assay Description Inhibition of recombinant CYP1A2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127521 BindingDB Entry DOI: 10.7270/Q2SN0DMB
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50553584 (CHEMBL4763134) Show SMILES [H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant CYP2C8 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127521 BindingDB Entry DOI: 10.7270/Q2SN0DMB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50553584 (CHEMBL4763134) Show SMILES [H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r| 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
TBA					Assay Description Inhibition of recombinant CYP2C9 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127521 BindingDB Entry DOI: 10.7270/Q2SN0DMB
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50553584 (CHEMBL4763134) Show SMILES [H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r| 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
TBA					Assay Description Inhibition of recombinant CYP2C19 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127521 BindingDB Entry DOI: 10.7270/Q2SN0DMB
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50553584 (CHEMBL4763134) Show SMILES [H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of recombinant CYP2D6 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127521 BindingDB Entry DOI: 10.7270/Q2SN0DMB
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50553584 (CHEMBL4763134) Show SMILES [H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r| 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
TBA					Assay Description Inhibition of recombinant CYP3A4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127521 BindingDB Entry DOI: 10.7270/Q2SN0DMB
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50553584 (CHEMBL4763134) Show SMILES [H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB 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
TBA					Assay Description Inverse agonist activity of LXRbeta (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127521 BindingDB Entry DOI: 10.7270/Q2SN0DMB
					More data for this Ligand-Target Pair