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SMILES: [H][C@]12CCc3c(Cc4ccccc4)nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)-c1ccncc1

InChI Key: InChIKey=RKLFSSGRLFGJPY-UKPISFLSSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50544854   

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))	BDBM50544854 (CHEMBL4646412 | US11292781, Compound T36) Show SMILES [H][C@]12CCc3c(Cc4ccccc4)nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)-c1ccncc1 |r,t:22| Show InChI InChI=1S/C27H24N4O/c1-17-22-9-8-21-23(14-18-6-4-3-5-7-18)30-26(19-10-12-29-13-11-19)31-25(21)27(22,2)15-20(16-28)24(17)32/h3-7,10-13,15,17,22H,8-9,14H2,1-2H3/t17-,22-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	160	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))	BDBM50544854 (CHEMBL4646412 | US11292781, Compound T36) Show SMILES [H][C@]12CCc3c(Cc4ccccc4)nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)-c1ccncc1 |r,t:22| Show InChI InChI=1S/C27H24N4O/c1-17-22-9-8-21-23(14-18-6-4-3-5-7-18)30-26(19-10-12-29-13-11-19)31-25(21)27(22,2)15-20(16-28)24(17)32/h3-7,10-13,15,17,22H,8-9,14H2,1-2H3/t17-,22-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	161	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))	BDBM50544854 (CHEMBL4646412 | US11292781, Compound T36) Show SMILES [H][C@]12CCc3c(Cc4ccccc4)nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)-c1ccncc1 |r,t:22| Show InChI InChI=1S/C27H24N4O/c1-17-22-9-8-21-23(14-18-6-4-3-5-7-18)30-26(19-10-12-29-13-11-19)31-25(21)27(22,2)15-20(16-28)24(17)32/h3-7,10-13,15,17,22H,8-9,14H2,1-2H3/t17-,22-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	132	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