BDBM50418840 CHEMBL1800659

SMILES: CCCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1

InChI Key: InChIKey=HYUZZQZAVMPKLP-UHFFFAOYSA-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 = 50418840   

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))	BDBM50418840 (CHEMBL1800659) Show SMILES CCCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 Show InChI InChI=1S/C26H35N3O4S/c1-2-3-16-29(23(31)13-19-33-18-12-20-7-5-4-6-8-20)17-15-27-14-11-21-9-10-22(30)24-25(21)34-26(32)28-24/h4-10,27,30H,2-3,11-19H2,1H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr				Bioorg Med Chem Lett 21: 4027-31 (2011) Article DOI: 10.1016/j.bmcl.2011.04.135 BindingDB Entry DOI: 10.7270/Q2RV0PXF
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50418840 (CHEMBL1800659) Show SMILES CCCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 Show InChI InChI=1S/C26H35N3O4S/c1-2-3-16-29(23(31)13-19-33-18-12-20-7-5-4-6-8-20)17-15-27-14-11-21-9-10-22(30)24-25(21)34-26(32)28-24/h4-10,27,30H,2-3,11-19H2,1H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...				ACS Med Chem Lett 5: 416-21 (2014) Article DOI: 10.1021/ml4005232 BindingDB Entry DOI: 10.7270/Q2ZC84D5
					More data for this Ligand-Target Pair