BDBM317904 US10399976, Compound 57::US10807980, Compound 57::US9624217, Compound 57

SMILES: CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3c2)cc1

InChI Key: InChIKey=GJABMLGGZGQAOI-NDEPHWFRSA-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 = 317904   

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))	BDBM317904 (US10399976, Compound 57 | US10807980, Compound 57 ...) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3c2)cc1 |r| Show InChI InChI=1S/C28H30N4O3S/c1-4-36(34,35)25-11-9-20(10-12-25)13-26(33)31-24-14-23-18-32(28(19(2)3)27(23)30-16-24)17-22-7-5-21(15-29)6-8-22/h5-12,14,16,19,28H,4,13,17-18H2,1-3H3,(H,31,33)/t28-/m0/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))	BDBM317904 (US10399976, Compound 57 | US10807980, Compound 57 ...) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3c2)cc1 |r| Show InChI InChI=1S/C28H30N4O3S/c1-4-36(34,35)25-11-9-20(10-12-25)13-26(33)31-24-14-23-18-32(28(19(2)3)27(23)30-16-24)17-22-7-5-21(15-29)6-8-22/h5-12,14,16,19,28H,4,13,17-18H2,1-3H3,(H,31,33)/t28-/m0/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))	BDBM317904 (US10399976, Compound 57 | US10807980, Compound 57 ...) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3c2)cc1 |r| Show InChI InChI=1S/C28H30N4O3S/c1-4-36(34,35)25-11-9-20(10-12-25)13-26(33)31-24-14-23-18-32(28(19(2)3)27(23)30-16-24)17-22-7-5-21(15-29)6-8-22/h5-12,14,16,19,28H,4,13,17-18H2,1-3H3,(H,31,33)/t28-/m0/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))	BDBM317904 (US10399976, Compound 57 | US10807980, Compound 57 ...) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3c2)cc1 |r| Show InChI InChI=1S/C28H30N4O3S/c1-4-36(34,35)25-11-9-20(10-12-25)13-26(33)31-24-14-23-18-32(28(19(2)3)27(23)30-16-24)17-22-7-5-21(15-29)6-8-22/h5-12,14,16,19,28H,4,13,17-18H2,1-3H3,(H,31,33)/t28-/m0/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))	BDBM317904 (US10399976, Compound 57 | US10807980, Compound 57 ...) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3c2)cc1 |r| Show InChI InChI=1S/C28H30N4O3S/c1-4-36(34,35)25-11-9-20(10-12-25)13-26(33)31-24-14-23-18-32(28(19(2)3)27(23)30-16-24)17-22-7-5-21(15-29)6-8-22/h5-12,14,16,19,28H,4,13,17-18H2,1-3H3,(H,31,33)/t28-/m0/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