BDBM50108089 CHEMBL3601306

SMILES: CC(C)(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12

InChI Key: InChIKey=UXUBZHCLIWMLLZ-FQEVSTJZSA-N

Data: 2 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 2 hits for monomerid = 50108089   

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))	BDBM50108089 (CHEMBL3601306) Show SMILES CC(C)(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r| Show InChI InChI=1S/C22H30N4O4S/c1-22(2,3)21-18-9-8-17(13-19(18)24-25-21)30-11-10-23-14-20(27)15-6-5-7-16(12-15)26-31(4,28)29/h5-9,12-13,20,23,26-27H,10-11,14H2,1-4H3,(H,24,25)/t20-/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	338	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta3-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins				J Med Chem 58: 6048-57 (2015) BindingDB Entry DOI: 10.7270/Q2NG4SDR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50108089 (CHEMBL3601306) Show SMILES CC(C)(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r| Show InChI InChI=1S/C22H30N4O4S/c1-22(2,3)21-18-9-8-17(13-19(18)24-25-21)30-11-10-23-14-20(27)15-6-5-7-16(12-15)26-31(4,28)29/h5-9,12-13,20,23,26-27H,10-11,14H2,1-4H3,(H,24,25)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay				J Med Chem 58: 6048-57 (2015) BindingDB Entry DOI: 10.7270/Q2NG4SDR
					More data for this Ligand-Target Pair