BDBM317906 US10399976, Compound 59::US10807980, Compound 59::US9624217, Compound 59

SMILES: CCS(=O)(=O)c1ccc(nc1)[C@@H](C)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1

InChI Key: InChIKey=FSIVAJANCGAQGN-DWXRJYCRSA-N

Data: 3 KI  2 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 5 hits for monomerid = 317906   

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 (RORC) (Homo sapiens (Human))	BDBM317906 (US10399976, Compound 59 | US10807980, Compound 59 ...) Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](C)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1 |r| Show InChI InChI=1S/C28H31F3N4O3S/c1-5-39(37,38)23-10-11-24(32-14-23)18(4)34-27(36)20-12-21-16-35(26(17(2)3)25(21)33-13-20)15-19-6-8-22(9-7-19)28(29,30)31/h6-14,17-18,26H,5,15-16H2,1-4H3,(H,34,36)/t18-,26+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, LLC US Patent					Assay Description Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...				US Patent US10807980 (2020)
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM317906 (US10399976, Compound 59 | US10807980, Compound 59 ...) Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](C)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1 |r| Show InChI InChI=1S/C28H31F3N4O3S/c1-5-39(37,38)23-10-11-24(32-14-23)18(4)34-27(36)20-12-21-16-35(26(17(2)3)25(21)33-13-20)15-19-6-8-22(9-7-19)28(29,30)31/h6-14,17-18,26H,5,15-16H2,1-4H3,(H,34,36)/t18-,26+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, LLC US Patent					Assay Description Compounds of the present invention were tested for ability to bind to ROR gamma in a cell-free competition assay with commercially available radio-li...				US Patent US10399976 (2019) BindingDB Entry DOI: 10.7270/Q2F76FXT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM317906 (US10399976, Compound 59 | US10807980, Compound 59 ...) Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](C)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1 |r| Show InChI InChI=1S/C28H31F3N4O3S/c1-5-39(37,38)23-10-11-24(32-14-23)18(4)34-27(36)20-12-21-16-35(26(17(2)3)25(21)33-13-20)15-19-6-8-22(9-7-19)28(29,30)31/h6-14,17-18,26H,5,15-16H2,1-4H3,(H,34,36)/t18-,26+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...				US Patent US9624217 (2017) BindingDB Entry DOI: 10.7270/Q29P33RJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM317906 (US10399976, Compound 59 | US10807980, Compound 59 ...) Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](C)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1 |r| Show InChI InChI=1S/C28H31F3N4O3S/c1-5-39(37,38)23-10-11-24(32-14-23)18(4)34-27(36)20-12-21-16-35(26(17(2)3)25(21)33-13-20)15-19-6-8-22(9-7-19)28(29,30)31/h6-14,17-18,26H,5,15-16H2,1-4H3,(H,34,36)/t18-,26+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, LLC US Patent					Assay Description Compounds of the present invention were tested for RORγ inverse agonist activity in a cell-based, transcriptional activity assay. Secreted Nanol...				US Patent US10807980 (2020)
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM317906 (US10399976, Compound 59 | US10807980, Compound 59 ...) Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](C)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1 |r| Show InChI InChI=1S/C28H31F3N4O3S/c1-5-39(37,38)23-10-11-24(32-14-23)18(4)34-27(36)20-12-21-16-35(26(17(2)3)25(21)33-13-20)15-19-6-8-22(9-7-19)28(29,30)31/h6-14,17-18,26H,5,15-16H2,1-4H3,(H,34,36)/t18-,26+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, LLC US Patent					Assay Description Compounds of the present invention were tested for ROR gamma inverse agonist activity in a cell-based, transcriptional activity assay. Secreted Nanol...				US Patent US10399976 (2019) BindingDB Entry DOI: 10.7270/Q2F76FXT
					More data for this Ligand-Target Pair