Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50544863'   

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))	BDBM50544863 (CHEMBL4638990 | US11292781, Compound T147) Show SMILES [H][C@]12CCc3c(nc(nc3[C@@]1(C=C(C#N)C(=O)[C@@H]2C)c1ccccc1)-c1ccnc(c1)C1CC1)-c1ccccc1F |r,t:13| Show InChI InChI=1S/C34H27FN4O/c1-20-27-14-13-26-30(25-9-5-6-10-28(25)35)38-33(22-15-16-37-29(17-22)21-11-12-21)39-32(26)34(27,18-23(19-36)31(20)40)24-7-3-2-4-8-24/h2-10,15-18,20-21,27H,11-14H2,1H3/t20-,27-,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	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))	BDBM50544863 (CHEMBL4638990 | US11292781, Compound T147) Show SMILES [H][C@]12CCc3c(nc(nc3[C@@]1(C=C(C#N)C(=O)[C@@H]2C)c1ccccc1)-c1ccnc(c1)C1CC1)-c1ccccc1F |r,t:13| Show InChI InChI=1S/C34H27FN4O/c1-20-27-14-13-26-30(25-9-5-6-10-28(25)35)38-33(22-15-16-37-29(17-22)21-11-12-21)39-32(26)34(27,18-23(19-36)31(20)40)24-7-3-2-4-8-24/h2-10,15-18,20-21,27H,11-14H2,1H3/t20-,27-,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	287	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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50544863 (CHEMBL4638990 | US11292781, Compound T147) Show SMILES [H][C@]12CCc3c(nc(nc3[C@@]1(C=C(C#N)C(=O)[C@@H]2C)c1ccccc1)-c1ccnc(c1)C1CC1)-c1ccccc1F |r,t:13| Show InChI InChI=1S/C34H27FN4O/c1-20-27-14-13-26-30(25-9-5-6-10-28(25)35)38-33(22-15-16-37-29(17-22)21-11-12-21)39-32(26)34(27,18-23(19-36)31(20)40)24-7-3-2-4-8-24/h2-10,15-18,20-21,27H,11-14H2,1H3/t20-,27-,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	475	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