BDBM50071280 CHEMBL68408::N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yloxy)-2-hydroxy-propylamino]-ethyl}-phenyl)-4-(3-hexyl-ureido)-benzenesulfonamide

SMILES: CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1

InChI Key: InChIKey=SUROPEFKPIJNCD-VWLOTQADSA-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 = 50071280   

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))	BDBM50071280 (CHEMBL68408 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1 Show InChI InChI=1S/C29H40N6O5S/c1-2-3-4-5-17-32-29(37)34-23-10-13-27(14-11-23)41(38,39)35-24-8-6-22(7-9-24)16-18-31-19-25(36)21-40-26-12-15-28(30)33-20-26/h6-15,20,25,31,35-36H,2-5,16-19,21H2,1H3,(H2,30,33)(H2,32,34,37)/t25-/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	640	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell				Bioorg Med Chem Lett 8: 2111-6 (1999) BindingDB Entry DOI: 10.7270/Q2H41QKB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50071280 (CHEMBL68408 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1 Show InChI InChI=1S/C29H40N6O5S/c1-2-3-4-5-17-32-29(37)34-23-10-13-27(14-11-23)41(38,39)35-24-8-6-22(7-9-24)16-18-31-19-25(36)21-40-26-12-15-28(30)33-20-26/h6-15,20,25,31,35-36H,2-5,16-19,21H2,1H3,(H2,30,33)(H2,32,34,37)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell				Bioorg Med Chem Lett 8: 2111-6 (1999) BindingDB Entry DOI: 10.7270/Q2H41QKB
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50071280 (CHEMBL68408 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1 Show InChI InChI=1S/C29H40N6O5S/c1-2-3-4-5-17-32-29(37)34-23-10-13-27(14-11-23)41(38,39)35-24-8-6-22(7-9-24)16-18-31-19-25(36)21-40-26-12-15-28(30)33-20-26/h6-15,20,25,31,35-36H,2-5,16-19,21H2,1H3,(H2,30,33)(H2,32,34,37)/t25-/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	6	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for its agonist activity against human Beta-3 adrenergic receptor				Bioorg Med Chem Lett 8: 2111-6 (1999) BindingDB Entry DOI: 10.7270/Q2H41QKB
					More data for this Ligand-Target Pair