Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50541921'   

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))	BDBM50541921 (CHEMBL4643438) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@H]1CCS(=O)(=O)[C@@H](C)C1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H27F8NO5S2/c1-16-14-18(10-13-43(16,39)40)24(38)37-12-11-25(44(41,42)21-6-4-20(29)5-7-21)22-8-3-19(15-17(22)2-9-23(25)37)26(30,27(31,32)33)28(34,35)36/h3-8,15-16,18,23H,2,9-14H2,1H3/t16-,18-,23+,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Bristol Myers Squibb Company Curated by ChEMBL					Assay Description Inverse agonist activity at human Gal4-fused RORgammat expressed in human Jurkat cells assessed as inhibition of constitutive receptor activity measu...				ACS Med Chem Lett 11: 1221-1227 (2020) Article DOI: 10.1021/acsmedchemlett.0c00063 BindingDB Entry DOI: 10.7270/Q2TH8R8Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50541921 (CHEMBL4643438) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@H]1CCS(=O)(=O)[C@@H](C)C1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H27F8NO5S2/c1-16-14-18(10-13-43(16,39)40)24(38)37-12-11-25(44(41,42)21-6-4-20(29)5-7-21)22-8-3-19(15-17(22)2-9-23(25)37)26(30,27(31,32)33)28(34,35)36/h3-8,15-16,18,23H,2,9-14H2,1H3/t16-,18-,23+,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
Bristol Myers Squibb Company Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in CD3 and CD28-stimulated human whole blood assessed as suppression of IL17 incubated for 1 hr before CD3 and ...				ACS Med Chem Lett 11: 1221-1227 (2020) Article DOI: 10.1021/acsmedchemlett.0c00063 BindingDB Entry DOI: 10.7270/Q2TH8R8Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50541921 (CHEMBL4643438) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@H]1CCS(=O)(=O)[C@@H](C)C1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H27F8NO5S2/c1-16-14-18(10-13-43(16,39)40)24(38)37-12-11-25(44(41,42)21-6-4-20(29)5-7-21)22-8-3-19(15-17(22)2-9-23(25)37)26(30,27(31,32)33)28(34,35)36/h3-8,15-16,18,23H,2,9-14H2,1H3/t16-,18-,23+,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
Bristol Myers Squibb Company Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in CD3 and CD28-stimulated human whole blood assessed as suppression of IL17 incubated for 1 hr before CD3 and ...				ACS Med Chem Lett 11: 1221-1227 (2020) Article DOI: 10.1021/acsmedchemlett.0c00063 BindingDB Entry DOI: 10.7270/Q2TH8R8Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50541921 (CHEMBL4643438) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@H]1CCS(=O)(=O)[C@@H](C)C1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H27F8NO5S2/c1-16-14-18(10-13-43(16,39)40)24(38)37-12-11-25(44(41,42)21-6-4-20(29)5-7-21)22-8-3-19(15-17(22)2-9-23(25)37)26(30,27(31,32)33)28(34,35)36/h3-8,15-16,18,23H,2,9-14H2,1H3/t16-,18-,23+,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Bristol Myers Squibb Company Curated by ChEMBL					Assay Description Inverse agonist activity at human Gal4-fused RORgammat expressed in human Jurkat cells assessed as inhibition of constitutive receptor activity measu...				ACS Med Chem Lett 11: 1221-1227 (2020) Article DOI: 10.1021/acsmedchemlett.0c00063 BindingDB Entry DOI: 10.7270/Q2TH8R8Z
					More data for this Ligand-Target Pair