Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma [238-497]' and Ligand = 'BDBM175893'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175893 (US9688684, Compound 90: 7-Benzyl-8-(4-ethyl-phenyl...) Show SMILES CCc1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12 Show InChI InChI=1S/C19H21N5/c1-2-15-8-10-17(11-9-15)18-19-20-21-22-24(19)13-12-23(18)14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175893 (US9688684, Compound 90: 7-Benzyl-8-(4-ethyl-phenyl...) Show SMILES CCc1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12 Show InChI InChI=1S/C19H21N5/c1-2-15-8-10-17(11-9-15)18-19-20-21-22-24(19)13-12-23(18)14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175893 (US9688684, Compound 90: 7-Benzyl-8-(4-ethyl-phenyl...) Show SMILES CCc1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12 Show InChI InChI=1S/C19H21N5/c1-2-15-8-10-17(11-9-15)18-19-20-21-22-24(19)13-12-23(18)14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175893 (US9688684, Compound 90: 7-Benzyl-8-(4-ethyl-phenyl...) Show SMILES CCc1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12 Show InChI InChI=1S/C19H21N5/c1-2-15-8-10-17(11-9-15)18-19-20-21-22-24(19)13-12-23(18)14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175893 (US9688684, Compound 90: 7-Benzyl-8-(4-ethyl-phenyl...) Show SMILES CCc1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12 Show InChI InChI=1S/C19H21N5/c1-2-15-8-10-17(11-9-15)18-19-20-21-22-24(19)13-12-23(18)14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair