BDBM50511341 CHEMBL4483761

SMILES: CCOc1cc(nnc1C(F)(F)F)N1CCC2(CC1)C(=O)Nc1ccc(Br)cc21

InChI Key: InChIKey=KRUCTQPDMQFYOJ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50511341   

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
Adrenergic receptor (Homo sapiens (Human))	BDBM50511341 (CHEMBL4483761) Show SMILES CCOc1cc(nnc1C(F)(F)F)N1CCC2(CC1)C(=O)Nc1ccc(Br)cc21 Show InChI InChI=1S/C19H18BrF3N4O2/c1-2-29-14-10-15(25-26-16(14)19(21,22)23)27-7-5-18(6-8-27)12-9-11(20)3-4-13(12)24-17(18)28/h3-4,9-10H,2,5-8H2,1H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Division of Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Displacement of [3H]RX 821002 from human recombinant adrenergic alpha-2B receptor expressed in CHO cells				ACS Med Chem Lett 11: 303-308 (2020) Article DOI: 10.1021/acsmedchemlett.9b00350
					More data for this Ligand-Target Pair