Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50548025'   

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))	BDBM50548025 (CHEMBL4782326) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@@H]1C[C@@H](F)C(=O)N1CC(C)(C)O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at Gal4-fused RORgammat LBD (unknown origin) by reporter gene assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00496 BindingDB Entry DOI: 10.7270/Q2MS3XBX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50548025 (CHEMBL4782326) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@@H]1C[C@@H](F)C(=O)N1CC(C)(C)O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at RORgammat in human whole blood assessed as IL-17 production by ELISA				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00496 BindingDB Entry DOI: 10.7270/Q2MS3XBX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50548025 (CHEMBL4782326) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@@H]1C[C@@H](F)C(=O)N1CC(C)(C)O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at RORgammat in human whole blood assessed as inhibition of anti-CD3/anti-CD28 monoclonal antibodies-stimulated IL-17A produ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00112 BindingDB Entry DOI: 10.7270/Q21R6V6T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50548025 (CHEMBL4782326) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@@H]1C[C@@H](F)C(=O)N1CC(C)(C)O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at human Gal4-fused RORgammat expressed in human Jurkat cells luciferase reporter gene assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00112 BindingDB Entry DOI: 10.7270/Q21R6V6T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Mus musculus)	BDBM50548025 (CHEMBL4782326) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@@H]1C[C@@H](F)C(=O)N1CC(C)(C)O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at RORgammat in mouse Th17 cells				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00496 BindingDB Entry DOI: 10.7270/Q2MS3XBX
					More data for this Ligand-Target Pair				3D Structure (crystal)