BDBM50099164 CHEMBL366657::N-[5-((R)-2-{1-[4-(2-Cyanoamino-4-oxo-4H-thiazol-5-ylidenemethyl)-phenyl]-piperidin-4-ylamino}-1-hydroxy-ethyl)-2-hydroxy-phenyl]-methanesulfonamide

SMILES: CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(C=C2SC(NC#N)=NC2=O)cc1

InChI Key: InChIKey=HURVPTVUCFGPMY-QFIPXVFZSA-N

Data: 1 EC50

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 = 50099164   

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))	BDBM50099164 (CHEMBL366657 | N-[5-((R)-2-{1-[4-(2-Cyanoamino-4-o...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(C=C2SC(NC#N)=NC2=O)cc1 |w:26.27,c:34| Show InChI InChI=1S/C25H28N6O5S2/c1-38(35,36)30-20-13-17(4-7-21(20)32)22(33)14-27-18-8-10-31(11-9-18)19-5-2-16(3-6-19)12-23-24(34)29-25(37-23)28-15-26/h2-7,12-13,18,22,27,30,32-33H,8-11,14H2,1H3,(H,28,29,34)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.				Bioorg Med Chem Lett 11: 981-4 (2001) BindingDB Entry DOI: 10.7270/Q2125RZ5
					More data for this Ligand-Target Pair