Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM190316'   

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 (Homo sapiens (Human))	BDBM190316 (US10227346, Example 73 | US10426135, Example 73 | ...) Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc([C@@H]3CCN(C(=O)C[C@@H](O)C(F)(F)F)C(C)(C)C3)c12 |r| Show InChI InChI=1S/C28H30F3N5O3/c1-16-21(34-26(39)18-7-5-6-17(10-18)13-32)14-33-25-24(16)20(15-35(25)4)19-8-9-36(27(2,3)12-19)23(38)11-22(37)28(29,30)31/h5-7,10,14-15,19,22,37H,8-9,11-12H2,1-4H3,(H,34,39)/t19-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22.6	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Napoli					Assay Description The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...				J Med Chem 51: 1764-70 (2008) BindingDB Entry DOI: 10.7270/Q2SF2ZGV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM190316 (US10227346, Example 73 | US10426135, Example 73 | ...) Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc([C@@H]3CCN(C(=O)C[C@@H](O)C(F)(F)F)C(C)(C)C3)c12 |r| Show InChI InChI=1S/C28H30F3N5O3/c1-16-21(34-26(39)18-7-5-6-17(10-18)13-32)14-33-25-24(16)20(15-35(25)4)19-8-9-36(27(2,3)12-19)23(38)11-22(37)28(29,30)31/h5-7,10,14-15,19,22,37H,8-9,11-12H2,1-4H3,(H,34,39)/t19-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22.6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...				US Patent US10426135 (2019) BindingDB Entry DOI: 10.7270/Q23N25QB
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM190316 (US10227346, Example 73 | US10426135, Example 73 | ...) Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc([C@@H]3CCN(C(=O)C[C@@H](O)C(F)(F)F)C(C)(C)C3)c12 |r| Show InChI InChI=1S/C28H30F3N5O3/c1-16-21(34-26(39)18-7-5-6-17(10-18)13-32)14-33-25-24(16)20(15-35(25)4)19-8-9-36(27(2,3)12-19)23(38)11-22(37)28(29,30)31/h5-7,10,14-15,19,22,37H,8-9,11-12H2,1-4H3,(H,34,39)/t19-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22.6	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University									J Med Chem 50: 4928-38 (2007) BindingDB Entry DOI: 10.7270/Q2GH9M91
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM190316 (US10227346, Example 73 | US10426135, Example 73 | ...) Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc([C@@H]3CCN(C(=O)C[C@@H](O)C(F)(F)F)C(C)(C)C3)c12 |r| Show InChI InChI=1S/C28H30F3N5O3/c1-16-21(34-26(39)18-7-5-6-17(10-18)13-32)14-33-25-24(16)20(15-35(25)4)19-8-9-36(27(2,3)12-19)23(38)11-22(37)28(29,30)31/h5-7,10,14-15,19,22,37H,8-9,11-12H2,1-4H3,(H,34,39)/t19-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	25
Pfizer Inc. US Patent					Assay Description Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...				US Patent US9670201 (2017) BindingDB Entry DOI: 10.7270/Q28G8HWT
					More data for this Ligand-Target Pair