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SMILES: [H][C@]12CCc3c(nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)-c1ccnc(CF)c1)-c1ccccc1F

InChI Key: InChIKey=VNOZLDIRUBEPCM-GDRILBJZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50544862   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50544862 (CHEMBL4645611 | US11292781, Compound T83) Show SMILES [H][C@]12CCc3c(nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)-c1ccnc(CF)c1)-c1ccccc1F |r,t:14| Show InChI InChI=1S/C27H22F2N4O/c1-15-21-8-7-20-23(19-5-3-4-6-22(19)29)32-26(16-9-10-31-18(11-16)13-28)33-25(20)27(21,2)12-17(14-30)24(15)34/h3-6,9-12,15,21H,7-8,13H2,1-2H3/t15-,21-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	74	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)
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50544862 (CHEMBL4645611 | US11292781, Compound T83) Show SMILES [H][C@]12CCc3c(nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)-c1ccnc(CF)c1)-c1ccccc1F |r,t:14| Show InChI InChI=1S/C27H22F2N4O/c1-15-21-8-7-20-23(19-5-3-4-6-22(19)29)32-26(16-9-10-31-18(11-16)13-28)33-25(20)27(21,2)12-17(14-30)24(15)34/h3-6,9-12,15,21H,7-8,13H2,1-2H3/t15-,21-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50544862 (CHEMBL4645611 | US11292781, Compound T83) Show SMILES [H][C@]12CCc3c(nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)-c1ccnc(CF)c1)-c1ccccc1F |r,t:14| Show InChI InChI=1S/C27H22F2N4O/c1-15-21-8-7-20-23(19-5-3-4-6-22(19)29)32-26(16-9-10-31-18(11-16)13-28)33-25(20)27(21,2)12-17(14-30)24(15)34/h3-6,9-12,15,21H,7-8,13H2,1-2H3/t15-,21-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	35	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)
					More data for this Ligand-Target Pair