BDBM50070171 CHEMBL13467::N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenyl)-4-(3-octyl-ureido)-benzenesulfonamide

SMILES: CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1

InChI Key: InChIKey=LXOPRJUSISCNMX-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 = 50070171   

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))	BDBM50070171 (CHEMBL13467 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...) Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C32H44N4O6S/c1-2-3-4-5-6-7-21-34-32(39)35-26-12-18-31(19-13-26)43(40,41)36-27-10-8-25(9-11-27)20-22-33-23-29(38)24-42-30-16-14-28(37)15-17-30/h8-19,29,33,36-38H,2-7,20-24H2,1H3,(H2,34,35,39)/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	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.				Bioorg Med Chem Lett 8: 1107-12 (1999) BindingDB Entry DOI: 10.7270/Q2QZ2942
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070171 (CHEMBL13467 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...) Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C32H44N4O6S/c1-2-3-4-5-6-7-21-34-32(39)35-26-12-18-31(19-13-26)43(40,41)36-27-10-8-25(9-11-27)20-22-33-23-29(38)24-42-30-16-14-28(37)15-17-30/h8-19,29,33,36-38H,2-7,20-24H2,1H3,(H2,34,35,39)/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	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.				Bioorg Med Chem Lett 8: 1107-12 (1999) BindingDB Entry DOI: 10.7270/Q2QZ2942
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50070171 (CHEMBL13467 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...) Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C32H44N4O6S/c1-2-3-4-5-6-7-21-34-32(39)35-26-12-18-31(19-13-26)43(40,41)36-27-10-8-25(9-11-27)20-22-33-23-29(38)24-42-30-16-14-28(37)15-17-30/h8-19,29,33,36-38H,2-7,20-24H2,1H3,(H2,34,35,39)/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	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards human Beta-3 adrenergic receptor				Bioorg Med Chem Lett 8: 1107-12 (1999) BindingDB Entry DOI: 10.7270/Q2QZ2942
					More data for this Ligand-Target Pair