BDBM50276815 CHEMBL4171419

SMILES: F[C@@H]1CNCC[C@H]1N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O

InChI Key: InChIKey=PDYXJCQUFQXOJK-HGGCSDQNSA-N

Data: 2 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 2 hits for monomerid = 50276815   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50276815 (CHEMBL4171419) Show SMILES F[C@@H]1CNCC[C@H]1N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r| Show InChI InChI=1S/C24H19ClF4N4O2S/c25-16-3-2-14(17(9-16)24(27,28)29)12-32-19-4-1-13(7-15(19)10-31-32)8-21-22(34)33(23(35)36-21)20-5-6-30-11-18(20)26/h1-4,7-10,18,20,30H,5-6,11-12H2/b21-8-/t18-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [3H]astemizole from human ERG				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair
Estrogen-related receptor alpha (Homo sapiens (Human))	BDBM50276815 (CHEMBL4171419) Show SMILES F[C@@H]1CNCC[C@H]1N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r| Show InChI InChI=1S/C24H19ClF4N4O2S/c25-16-3-2-14(17(9-16)24(27,28)29)12-32-19-4-1-13(7-15(19)10-31-32)8-21-22(34)33(23(35)36-21)20-5-6-30-11-18(20)26/h1-4,7-10,18,20,30H,5-6,11-12H2/b21-8-/t18-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...				Eur J Med Chem 138: 830-853 (2017) Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7
					More data for this Ligand-Target Pair