BDBM414262 US10435369, Example 149

SMILES: Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@@H](NC(=O)C3CCS(=O)(=O)CC3)[C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=LOOWXSUDJJEUCC-JBRSBNLGSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 414262   

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))	BDBM414262 (US10435369, Example 149) Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@@H](NC(=O)C3CCS(=O)(=O)CC3)[C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H27F8NO5S2/c29-19-3-5-20(6-4-19)44(41,42)25-12-9-23(37-24(38)16-10-13-43(39,40)14-11-16)22(25)7-1-17-15-18(2-8-21(17)25)26(30,27(31,32)33)28(34,35)36/h2-6,8,15-16,22-23H,1,7,9-14H2,(H,37,38)/t22-,23+,25+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Inverse agonist activity of potential ligands to RORγ was measured by inhibition of luminescence in a Gal4-luciferase reporter assay in Jurkat c...				US Patent US10435369 (2019) BindingDB Entry DOI: 10.7270/Q21V5HB4
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Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM414262 (US10435369, Example 149) Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@@H](NC(=O)C3CCS(=O)(=O)CC3)[C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H27F8NO5S2/c29-19-3-5-20(6-4-19)44(41,42)25-12-9-23(37-24(38)16-10-13-43(39,40)14-11-16)22(25)7-1-17-15-18(2-8-21(17)25)26(30,27(31,32)33)28(34,35)36/h2-6,8,15-16,22-23H,1,7,9-14H2,(H,37,38)/t22-,23+,25+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	8.70	n/a	n/a	n/a	n/a
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Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM414262 (US10435369, Example 149) Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@@H](NC(=O)C3CCS(=O)(=O)CC3)[C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H27F8NO5S2/c29-19-3-5-20(6-4-19)44(41,42)25-12-9-23(37-24(38)16-10-13-43(39,40)14-11-16)22(25)7-1-17-15-18(2-8-21(17)25)26(30,27(31,32)33)28(34,35)36/h2-6,8,15-16,22-23H,1,7,9-14H2,(H,37,38)/t22-,23+,25+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM414262 (US10435369, Example 149) Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@@H](NC(=O)C3CCS(=O)(=O)CC3)[C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H27F8NO5S2/c29-19-3-5-20(6-4-19)44(41,42)25-12-9-23(37-24(38)16-10-13-43(39,40)14-11-16)22(25)7-1-17-15-18(2-8-21(17)25)26(30,27(31,32)33)28(34,35)36/h2-6,8,15-16,22-23H,1,7,9-14H2,(H,37,38)/t22-,23+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM414262 (US10435369, Example 149) Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@@H](NC(=O)C3CCS(=O)(=O)CC3)[C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H27F8NO5S2/c29-19-3-5-20(6-4-19)44(41,42)25-12-9-23(37-24(38)16-10-13-43(39,40)14-11-16)22(25)7-1-17-15-18(2-8-21(17)25)26(30,27(31,32)33)28(34,35)36/h2-6,8,15-16,22-23H,1,7,9-14H2,(H,37,38)/t22-,23+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM414262 (US10435369, Example 149) Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@@H](NC(=O)C3CCS(=O)(=O)CC3)[C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H27F8NO5S2/c29-19-3-5-20(6-4-19)44(41,42)25-12-9-23(37-24(38)16-10-13-43(39,40)14-11-16)22(25)7-1-17-15-18(2-8-21(17)25)26(30,27(31,32)33)28(34,35)36/h2-6,8,15-16,22-23H,1,7,9-14H2,(H,37,38)/t22-,23+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM414262 (US10435369, Example 149) Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@@H](NC(=O)C3CCS(=O)(=O)CC3)[C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H27F8NO5S2/c29-19-3-5-20(6-4-19)44(41,42)25-12-9-23(37-24(38)16-10-13-43(39,40)14-11-16)22(25)7-1-17-15-18(2-8-21(17)25)26(30,27(31,32)33)28(34,35)36/h2-6,8,15-16,22-23H,1,7,9-14H2,(H,37,38)/t22-,23+,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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