BDBM383125 (1R,2S)-4-(9b-((3-fluorophenyl)sulfonyl)-7-(perfluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole-3-carbonyl)-2-methylcyclohexane-1-carboxylic acid (2 Single Diastereomers)::US10273259, Example 836::US10273259, Example 837::US10711020, Example 837

SMILES: C[C@H]1CC(CC[C@H]1C(O)=O)C(=O)N1CCC2(C1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccc(F)c1

InChI Key: InChIKey=VSNITFSVOGKQJM-PEZFPZIYSA-N

Data: 4 IC50

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 4 hits for monomerid = 383125   

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 (Mus musculus)	BDBM383125 ((1R,2S)-4-(9b-((3-fluorophenyl)sulfonyl)-7-(perflu...) Show SMILES C[C@H]1CC(CC[C@H]1C(O)=O)C(=O)N1CCC2(C1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C30H29F8NO5S/c1-16-13-18(5-8-22(16)26(41)42)25(40)39-12-11-27(45(43,44)21-4-2-3-20(31)15-21)23-9-7-19(14-17(23)6-10-24(27)39)28(32,29(33,34)35)30(36,37)38/h2-4,7,9,14-16,18,22,24H,5-6,8,10-13H2,1H3,(H,41,42)/t16-,18?,22+,24?,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM383125 ((1R,2S)-4-(9b-((3-fluorophenyl)sulfonyl)-7-(perflu...) Show SMILES C[C@H]1CC(CC[C@H]1C(O)=O)C(=O)N1CCC2(C1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C30H29F8NO5S/c1-16-13-18(5-8-22(16)26(41)42)25(40)39-12-11-27(45(43,44)21-4-2-3-20(31)15-21)23-9-7-19(14-17(23)6-10-24(27)39)28(32,29(33,34)35)30(36,37)38/h2-4,7,9,14-16,18,22,24H,5-6,8,10-13H2,1H3,(H,41,42)/t16-,18?,22+,24?,27?/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	56	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)
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM383125 ((1R,2S)-4-(9b-((3-fluorophenyl)sulfonyl)-7-(perflu...) Show SMILES C[C@H]1CC(CC[C@H]1C(O)=O)C(=O)N1CCC2(C1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C30H29F8NO5S/c1-16-13-18(5-8-22(16)26(41)42)25(40)39-12-11-27(45(43,44)21-4-2-3-20(31)15-21)23-9-7-19(14-17(23)6-10-24(27)39)28(32,29(33,34)35)30(36,37)38/h2-4,7,9,14-16,18,22,24H,5-6,8,10-13H2,1H3,(H,41,42)/t16-,18?,22+,24?,27?/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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)
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Mus musculus)	BDBM383125 ((1R,2S)-4-(9b-((3-fluorophenyl)sulfonyl)-7-(perflu...) Show SMILES C[C@H]1CC(CC[C@H]1C(O)=O)C(=O)N1CCC2(C1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C30H29F8NO5S/c1-16-13-18(5-8-22(16)26(41)42)25(40)39-12-11-27(45(43,44)21-4-2-3-20(31)15-21)23-9-7-19(14-17(23)6-10-24(27)39)28(32,29(33,34)35)30(36,37)38/h2-4,7,9,14-16,18,22,24H,5-6,8,10-13H2,1H3,(H,41,42)/t16-,18?,22+,24?,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	56	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
					More data for this Ligand-Target Pair