BDBM50108093 CHEMBL3601309

SMILES: CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)-c1ccccc1

InChI Key: InChIKey=MTIGDZMXGQUPQH-QHCPKHFHSA-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 = 50108093   

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))	BDBM50108093 (CHEMBL3601309) Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)-c1ccccc1 |r| Show InChI InChI=1S/C24H26N4O4S/c1-33(30,31)28-19-9-5-8-18(14-19)23(29)16-25-12-13-32-20-10-11-21-22(15-20)26-27-24(21)17-6-3-2-4-7-17/h2-11,14-15,23,25,28-29H,12-13,16H2,1H3,(H,26,27)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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))	BDBM50108093 (CHEMBL3601309) Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)-c1ccccc1 |r| Show InChI InChI=1S/C24H26N4O4S/c1-33(30,31)28-19-9-5-8-18(14-19)23(29)16-25-12-13-32-20-10-11-21-22(15-20)26-27-24(21)17-6-3-2-4-7-17/h2-11,14-15,23,25,28-29H,12-13,16H2,1H3,(H,26,27)/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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