BDBM317893 Tert-butyl (S)-3-(((5-(ethylsulfonyl)pyridin-2-yl)methyl)carbamoyl)-7-isopropyl-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-carboxylate::US10399976, Compound 46::US10807980, Compound 46::US9624217, Compound 46

SMILES: CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OC(C)(C)C)nc1

InChI Key: InChIKey=QUTINPQQCBIGSG-NRFANRHFSA-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 = 317893   

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))	BDBM317893 (Tert-butyl (S)-3-(((5-(ethylsulfonyl)pyridin-2-yl)...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OC(C)(C)C)nc1 |r| Show InChI InChI=1S/C24H32N4O5S/c1-7-34(31,32)19-9-8-18(25-13-19)12-27-22(29)16-10-17-14-28(23(30)33-24(4,5)6)21(15(2)3)20(17)26-11-16/h8-11,13,15,21H,7,12,14H2,1-6H3,(H,27,29)/t21-/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))	BDBM317893 (Tert-butyl (S)-3-(((5-(ethylsulfonyl)pyridin-2-yl)...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OC(C)(C)C)nc1 |r| Show InChI InChI=1S/C24H32N4O5S/c1-7-34(31,32)19-9-8-18(25-13-19)12-27-22(29)16-10-17-14-28(23(30)33-24(4,5)6)21(15(2)3)20(17)26-11-16/h8-11,13,15,21H,7,12,14H2,1-6H3,(H,27,29)/t21-/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))	BDBM317893 (Tert-butyl (S)-3-(((5-(ethylsulfonyl)pyridin-2-yl)...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OC(C)(C)C)nc1 |r| Show InChI InChI=1S/C24H32N4O5S/c1-7-34(31,32)19-9-8-18(25-13-19)12-27-22(29)16-10-17-14-28(23(30)33-24(4,5)6)21(15(2)3)20(17)26-11-16/h8-11,13,15,21H,7,12,14H2,1-6H3,(H,27,29)/t21-/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))	BDBM317893 (Tert-butyl (S)-3-(((5-(ethylsulfonyl)pyridin-2-yl)...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OC(C)(C)C)nc1 |r| Show InChI InChI=1S/C24H32N4O5S/c1-7-34(31,32)19-9-8-18(25-13-19)12-27-22(29)16-10-17-14-28(23(30)33-24(4,5)6)21(15(2)3)20(17)26-11-16/h8-11,13,15,21H,7,12,14H2,1-6H3,(H,27,29)/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 (RORC) (Homo sapiens (Human))	BDBM317893 (Tert-butyl (S)-3-(((5-(ethylsulfonyl)pyridin-2-yl)...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OC(C)(C)C)nc1 |r| Show InChI InChI=1S/C24H32N4O5S/c1-7-34(31,32)19-9-8-18(25-13-19)12-27-22(29)16-10-17-14-28(23(30)33-24(4,5)6)21(15(2)3)20(17)26-11-16/h8-11,13,15,21H,7,12,14H2,1-6H3,(H,27,29)/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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