BDBM50012206 CHEMBL1093518

SMILES: OC(c1ccc2n(CC(F)(F)F)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=QLZRAJAUJHVGPR-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50012206   

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 (RORC) (Homo sapiens (Human))	BDBM50012206 (CHEMBL1093518) Show SMILES OC(c1ccc2n(CC(F)(F)F)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H10F9NO2/c19-15(20,21)8-28-13-6-5-9(16(30,17(22,23)24)18(25,26)27)7-12(13)10-3-1-2-4-11(10)14(28)29/h1-7,30H,8H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay				Bioorg Med Chem 22: 2799-808 (2014) Article DOI: 10.1016/j.bmc.2014.03.007 BindingDB Entry DOI: 10.7270/Q28K7BN8
					More data for this Ligand-Target Pair
Nuclear receptor ROR-beta (Homo sapiens (Human))	BDBM50012206 (CHEMBL1093518) Show SMILES OC(c1ccc2n(CC(F)(F)F)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H10F9NO2/c19-15(20,21)8-28-13-6-5-9(16(30,17(22,23)24)18(25,26)27)7-12(13)10-3-1-2-4-11(10)14(28)29/h1-7,30H,8H2	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay				Bioorg Med Chem 22: 2799-808 (2014) Article DOI: 10.1016/j.bmc.2014.03.007 BindingDB Entry DOI: 10.7270/Q28K7BN8
					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM50012206 (CHEMBL1093518) Show SMILES OC(c1ccc2n(CC(F)(F)F)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H10F9NO2/c19-15(20,21)8-28-13-6-5-9(16(30,17(22,23)24)18(25,26)27)7-12(13)10-3-1-2-4-11(10)14(28)29/h1-7,30H,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay				Bioorg Med Chem 22: 2799-808 (2014) Article DOI: 10.1016/j.bmc.2014.03.007 BindingDB Entry DOI: 10.7270/Q28K7BN8
					More data for this Ligand-Target Pair