BDBM317889 US10399976, Compound 42::US10807980, Compound 42::US9624217, Compound 42

SMILES: CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCC(F)(F)CC4)Cc3c2)cc1

InChI Key: InChIKey=KOQZSYUHYOLDLD-VWLOTQADSA-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 = 317889   

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))	BDBM317889 (US10399976, Compound 42 | US10807980, Compound 42 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCC(F)(F)CC4)Cc3c2)cc1 |r| Show InChI InChI=1S/C27H35F2N3O3S/c1-4-36(34,35)23-7-5-19(6-8-23)14-31-26(33)21-13-22-17-32(25(18(2)3)24(22)30-15-21)16-20-9-11-27(28,29)12-10-20/h5-8,13,15,18,20,25H,4,9-12,14,16-17H2,1-3H3,(H,31,33)/t25-/m0/s1	PDB UniProtKB/SwissProt 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 (Homo sapiens (Human))	BDBM317889 (US10399976, Compound 42 | US10807980, Compound 42 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCC(F)(F)CC4)Cc3c2)cc1 |r| Show InChI InChI=1S/C27H35F2N3O3S/c1-4-36(34,35)23-7-5-19(6-8-23)14-31-26(33)21-13-22-17-32(25(18(2)3)24(22)30-15-21)16-20-9-11-27(28,29)12-10-20/h5-8,13,15,18,20,25H,4,9-12,14,16-17H2,1-3H3,(H,31,33)/t25-/m0/s1	PDB UniProtKB/SwissProt 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 (Homo sapiens (Human))	BDBM317889 (US10399976, Compound 42 | US10807980, Compound 42 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCC(F)(F)CC4)Cc3c2)cc1 |r| Show InChI InChI=1S/C27H35F2N3O3S/c1-4-36(34,35)23-7-5-19(6-8-23)14-31-26(33)21-13-22-17-32(25(18(2)3)24(22)30-15-21)16-20-9-11-27(28,29)12-10-20/h5-8,13,15,18,20,25H,4,9-12,14,16-17H2,1-3H3,(H,31,33)/t25-/m0/s1	PDB UniProtKB/SwissProt 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 (Homo sapiens (Human))	BDBM317889 (US10399976, Compound 42 | US10807980, Compound 42 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCC(F)(F)CC4)Cc3c2)cc1 |r| Show InChI InChI=1S/C27H35F2N3O3S/c1-4-36(34,35)23-7-5-19(6-8-23)14-31-26(33)21-13-22-17-32(25(18(2)3)24(22)30-15-21)16-20-9-11-27(28,29)12-10-20/h5-8,13,15,18,20,25H,4,9-12,14,16-17H2,1-3H3,(H,31,33)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	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 (Homo sapiens (Human))	BDBM317889 (US10399976, Compound 42 | US10807980, Compound 42 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCC(F)(F)CC4)Cc3c2)cc1 |r| Show InChI InChI=1S/C27H35F2N3O3S/c1-4-36(34,35)23-7-5-19(6-8-23)14-31-26(33)21-13-22-17-32(25(18(2)3)24(22)30-15-21)16-20-9-11-27(28,29)12-10-20/h5-8,13,15,18,20,25H,4,9-12,14,16-17H2,1-3H3,(H,31,33)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	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