BDBM50487720 CHEMBL2260989

SMILES: C[C@H](Cc1cn2CCCOc3cccc1c23)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1

InChI Key: InChIKey=DJZVSBVUKXNTNL-JPYJTQIMSA-N

Data: 3 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 3 hits for monomerid = 50487720   

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))	BDBM50487720 (CHEMBL2260989) Show SMILES C[C@H](Cc1cn2CCCOc3cccc1c23)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 |r| Show InChI InChI=1S/C26H29N3O4S2/c1-18(14-20-17-29-11-5-12-33-24-9-3-8-22(20)26(24)29)27-16-23(30)19-6-2-7-21(15-19)28-35(31,32)25-10-4-13-34-25/h2-4,6-10,13,15,17-18,23,27-28,30H,5,11-12,14,16H2,1H3/t18-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	53	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Agonist activity at Homo sapiens (human) beta2 adrenoreceptor				Med Chem Res 19: 1121-1140 (2010) Article DOI: 10.1007/s00044-009-9257-x BindingDB Entry DOI: 10.7270/Q2057JTC
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50487720 (CHEMBL2260989) Show SMILES C[C@H](Cc1cn2CCCOc3cccc1c23)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 |r| Show InChI InChI=1S/C26H29N3O4S2/c1-18(14-20-17-29-11-5-12-33-24-9-3-8-22(20)26(24)29)27-16-23(30)19-6-2-7-21(15-19)28-35(31,32)25-10-4-13-34-25/h2-4,6-10,13,15,17-18,23,27-28,30H,5,11-12,14,16H2,1H3/t18-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	44	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Agonist activity at Homo sapiens (human) beta1 adrenoreceptor				Med Chem Res 19: 1121-1140 (2010) Article DOI: 10.1007/s00044-009-9257-x BindingDB Entry DOI: 10.7270/Q2057JTC
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50487720 (CHEMBL2260989) Show SMILES C[C@H](Cc1cn2CCCOc3cccc1c23)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 |r| Show InChI InChI=1S/C26H29N3O4S2/c1-18(14-20-17-29-11-5-12-33-24-9-3-8-22(20)26(24)29)27-16-23(30)19-6-2-7-21(15-19)28-35(31,32)25-10-4-13-34-25/h2-4,6-10,13,15,17-18,23,27-28,30H,5,11-12,14,16H2,1H3/t18-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Agonist activity at Homo sapiens (human) beta3 adrenoreceptor				Med Chem Res 19: 1121-1140 (2010) Article DOI: 10.1007/s00044-009-9257-x BindingDB Entry DOI: 10.7270/Q2057JTC
					More data for this Ligand-Target Pair