BDBM50454563 CHEMBL4204907

SMILES: CC(CC(F)(F)F)NCc1ccc(cc1)-c1nccs1

InChI Key: InChIKey=CQHNEOVZWXSOML-UHFFFAOYSA-N

Data: 2 KI

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 = 50454563   

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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50454563 (CHEMBL4204907) Show SMILES CC(CC(F)(F)F)NCc1ccc(cc1)-c1nccs1 Show InChI InChI=1S/C14H15F3N2S/c1-10(8-14(15,16)17)19-9-11-2-4-12(5-3-11)13-18-6-7-20-13/h2-7,10,19H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]-DHA from Nb80-fused beta2 adrenergic receptor (unknown origin) expressed in Sf9 cell membranes after 2 hrs by microbeta scintill...				J Med Chem 61: 1118-1129 (2018) Article DOI: 10.1021/acs.jmedchem.7b01558 BindingDB Entry DOI: 10.7270/Q2Z89G08
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50454563 (CHEMBL4204907) Show SMILES CC(CC(F)(F)F)NCc1ccc(cc1)-c1nccs1 Show InChI InChI=1S/C14H15F3N2S/c1-10(8-14(15,16)17)19-9-11-2-4-12(5-3-11)13-18-6-7-20-13/h2-7,10,19H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.93E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]-DHA from Nb69-fused beta2 adrenergic receptor (unknown origin) expressed in Sf9 cell membranes after 2 hrs by microbeta scintill...				J Med Chem 61: 1118-1129 (2018) Article DOI: 10.1021/acs.jmedchem.7b01558 BindingDB Entry DOI: 10.7270/Q2Z89G08
					More data for this Ligand-Target Pair