Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50544857'   

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))	BDBM50544857 (CHEMBL4636596 | US11292781, Compound T139) Show SMILES [H][C@]12CCc3c(nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)N1CCN(CC1)C(C)=O)-c1ccccc1F |r,t:14| Show InChI InChI=1S/C27H28FN5O2/c1-16-21-9-8-20-23(19-6-4-5-7-22(19)28)30-26(33-12-10-32(11-13-33)17(2)34)31-25(20)27(21,3)14-18(15-29)24(16)35/h4-7,14,16,21H,8-13H2,1-3H3/t16-,21-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Reata Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by reduction in m...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126967 BindingDB Entry DOI: 10.7270/Q23X8B6Q
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50544857 (CHEMBL4636596 | US11292781, Compound T139) Show SMILES [H][C@]12CCc3c(nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)N1CCN(CC1)C(C)=O)-c1ccccc1F |r,t:14| Show InChI InChI=1S/C27H28FN5O2/c1-16-21-9-8-20-23(19-6-4-5-7-22(19)28)30-26(33-12-10-32(11-13-33)17(2)34)31-25(20)27(21,3)14-18(15-29)24(16)35/h4-7,14,16,21H,8-13H2,1-3H3/t16-,21-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Reata Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inverse agonist activity at Gal4-fused RORgammat LBD (unknown origin) by reporter gene assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126967 BindingDB Entry DOI: 10.7270/Q23X8B6Q
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50544857 (CHEMBL4636596 | US11292781, Compound T139) Show SMILES [H][C@]12CCc3c(nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)N1CCN(CC1)C(C)=O)-c1ccccc1F |r,t:14| Show InChI InChI=1S/C27H28FN5O2/c1-16-21-9-8-20-23(19-6-4-5-7-22(19)28)30-26(33-12-10-32(11-13-33)17(2)34)31-25(20)27(21,3)14-18(15-29)24(16)35/h4-7,14,16,21H,8-13H2,1-3H3/t16-,21-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...				Citation and Details BindingDB Entry DOI: 10.7270/Q24F1TXR
					More data for this Ligand-Target Pair