BDBM50072378 CHEMBL104193::N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-(3-phenethyl-ureido)-benzenesulfonamide

SMILES: O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCCc3ccccc3)cc2)cc1)c1cccnc1

InChI Key: InChIKey=OQCZSKDYAKSTBO-LJAQVGFWSA-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 = 50072378   

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))	BDBM50072378 (CHEMBL104193 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCCc3ccccc3)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C30H33N5O4S/c36-29(25-7-4-18-31-21-25)22-32-19-16-24-8-10-27(11-9-24)35-40(38,39)28-14-12-26(13-15-28)34-30(37)33-20-17-23-5-2-1-3-6-23/h1-15,18,21,29,32,35-36H,16-17,19-20,22H2,(H2,33,34,37)/t29-/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	200	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))	BDBM50072378 (CHEMBL104193 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCCc3ccccc3)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C30H33N5O4S/c36-29(25-7-4-18-31-21-25)22-32-19-16-24-8-10-27(11-9-24)35-40(38,39)28-14-12-26(13-15-28)34-30(37)33-20-17-23-5-2-1-3-6-23/h1-15,18,21,29,32,35-36H,16-17,19-20,22H2,(H2,33,34,37)/t29-/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	1.60	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))	BDBM50072378 (CHEMBL104193 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCCc3ccccc3)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C30H33N5O4S/c36-29(25-7-4-18-31-21-25)22-32-19-16-24-8-10-27(11-9-24)35-40(38,39)28-14-12-26(13-15-28)34-30(37)33-20-17-23-5-2-1-3-6-23/h1-15,18,21,29,32,35-36H,16-17,19-20,22H2,(H2,33,34,37)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	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