BDBM50451960 CHEMBL2111776

SMILES: COc1ccc(cc1)[C@@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(N)=O

InChI Key: InChIKey=HNCZDIMPROAWAO-DLBZAZTESA-N

Data: 1 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 1 hit for monomerid = 50451960   

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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50451960 (CHEMBL2111776) Show SMILES COc1ccc(cc1)[C@@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(N)=O Show InChI InChI=1S/C18H23N3O6S/c1-27-13-6-3-11(4-7-13)17(18(19)24)20-10-16(23)12-5-8-15(22)14(9-12)21-28(2,25)26/h3-9,16-17,20-23H,10H2,1-2H3,(H2,19,24)/t16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 3525-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.074 BindingDB Entry DOI: 10.7270/Q2MP52Q7
					More data for this Ligand-Target Pair