BDBM50072391 (4-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenylsulfamoyl}-phenyl)-carbamic acid propyl ester::CHEMBL104222

SMILES: CCCOC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1

InChI Key: InChIKey=XZAOLFDZAYYPQV-DEOSSOPVSA-N

Data: 2 IC50  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 3 hits for monomerid = 50072391   

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))	BDBM50072391 ((4-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)...) Show SMILES CCCOC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C25H30N4O5S/c1-2-16-34-25(31)28-21-9-11-23(12-10-21)35(32,33)29-22-7-5-19(6-8-22)13-15-27-18-24(30)20-4-3-14-26-17-20/h3-12,14,17,24,27,29-30H,2,13,15-16,18H2,1H3,(H,28,31)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Beta-2 adrenergic receptor binding affinity in CHO cells expressing cloned human receptor in the presence of 125 I-iodocyanopindolol				Bioorg Med Chem Lett 8: 3087-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FF6
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50072391 ((4-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)...) Show SMILES CCCOC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C25H30N4O5S/c1-2-16-34-25(31)28-21-9-11-23(12-10-21)35(32,33)29-22-7-5-19(6-8-22)13-15-27-18-24(30)20-4-3-14-26-17-20/h3-12,14,17,24,27,29-30H,2,13,15-16,18H2,1H3,(H,28,31)/t24-/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	150	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonism against Beta-3 adrenergic receptor				Bioorg Med Chem Lett 8: 3087-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FF6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50072391 ((4-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)...) Show SMILES CCCOC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C25H30N4O5S/c1-2-16-34-25(31)28-21-9-11-23(12-10-21)35(32,33)29-22-7-5-19(6-8-22)13-15-27-18-24(30)20-4-3-14-26-17-20/h3-12,14,17,24,27,29-30H,2,13,15-16,18H2,1H3,(H,28,31)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Beta-1 adrenergic receptor binding affinity in CHO cells expressing cloned human receptor in the presence of 125 I-iodocyanopindolol				Bioorg Med Chem Lett 8: 3087-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FF6
					More data for this Ligand-Target Pair