Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM189918'   

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))	BDBM189918 (US10227346, Example 41 | US10426135, Example 41 | ...) Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cc(Cl)ccc3F)c(C)c12)C(C)(C)C |r| Show InChI InChI=1S/C28H34ClFN4O2/c1-16-23(32-26(35)20-13-19(29)7-8-22(20)30)14-31-25-24(16)21(15-33(25)6)18-9-11-34(12-10-18)27(36)17(2)28(3,4)5/h7-8,13-15,17-18H,9-12H2,1-6H3,(H,32,35)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM189918 (US10227346, Example 41 | US10426135, Example 41 | ...) Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cc(Cl)ccc3F)c(C)c12)C(C)(C)C |r| Show InChI InChI=1S/C28H34ClFN4O2/c1-16-23(32-26(35)20-13-19(29)7-8-22(20)30)14-31-25-24(16)21(15-33(25)6)18-9-11-34(12-10-18)27(36)17(2)28(3,4)5/h7-8,13-15,17-18H,9-12H2,1-6H3,(H,32,35)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	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))	BDBM189918 (US10227346, Example 41 | US10426135, Example 41 | ...) Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cc(Cl)ccc3F)c(C)c12)C(C)(C)C |r| Show InChI InChI=1S/C28H34ClFN4O2/c1-16-23(32-26(35)20-13-19(29)7-8-22(20)30)14-31-25-24(16)21(15-33(25)6)18-9-11-34(12-10-18)27(36)17(2)28(3,4)5/h7-8,13-15,17-18H,9-12H2,1-6H3,(H,32,35)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	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))	BDBM189918 (US10227346, Example 41 | US10426135, Example 41 | ...) Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cc(Cl)ccc3F)c(C)c12)C(C)(C)C |r| Show InChI InChI=1S/C28H34ClFN4O2/c1-16-23(32-26(35)20-13-19(29)7-8-22(20)30)14-31-25-24(16)21(15-33(25)6)18-9-11-34(12-10-18)27(36)17(2)28(3,4)5/h7-8,13-15,17-18H,9-12H2,1-6H3,(H,32,35)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	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