BDBM50072375 4-(3-Hexyl-ureido)-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide::CHEMBL57486::L-757793

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

InChI Key: InChIKey=RKIRUNUDHJGEGW-MHZLTWQESA-N

Data: 4 IC50  4 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 8 hits for monomerid = 50072375   

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))	BDBM50072375 (4-(3-Hexyl-ureido)-N-{4-[2-((R)-2-hydroxy-2-pyridi...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C28H37N5O4S/c1-2-3-4-5-18-31-28(35)32-24-12-14-26(15-13-24)38(36,37)33-25-10-8-22(9-11-25)16-19-30-21-27(34)23-7-6-17-29-20-23/h6-15,17,20,27,30,33-34H,2-5,16,18-19,21H2,1H3,(H2,31,32,35)/t27-/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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards cloned human beta-2 adrenergic receptor using [125I]-iodocyanopindolol as radioligand to stimulate increase in cAMP...				Bioorg Med Chem Lett 9: 1869-74 (1999) BindingDB Entry DOI: 10.7270/Q2FN15D1
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50072375 (4-(3-Hexyl-ureido)-N-{4-[2-((R)-2-hydroxy-2-pyridi...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C28H37N5O4S/c1-2-3-4-5-18-31-28(35)32-24-12-14-26(15-13-24)38(36,37)33-25-10-8-22(9-11-25)16-19-30-21-27(34)23-7-6-17-29-20-23/h6-15,17,20,27,30,33-34H,2-5,16,18-19,21H2,1H3,(H2,31,32,35)/t27-/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	3.00E+3	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))	BDBM50072375 (4-(3-Hexyl-ureido)-N-{4-[2-((R)-2-hydroxy-2-pyridi...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C28H37N5O4S/c1-2-3-4-5-18-31-28(35)32-24-12-14-26(15-13-24)38(36,37)33-25-10-8-22(9-11-25)16-19-30-21-27(34)23-7-6-17-29-20-23/h6-15,17,20,27,30,33-34H,2-5,16,18-19,21H2,1H3,(H2,31,32,35)/t27-/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	6.30	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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50072375 (4-(3-Hexyl-ureido)-N-{4-[2-((R)-2-hydroxy-2-pyridi...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C28H37N5O4S/c1-2-3-4-5-18-31-28(35)32-24-12-14-26(15-13-24)38(36,37)33-25-10-8-22(9-11-25)16-19-30-21-27(34)23-7-6-17-29-20-23/h6-15,17,20,27,30,33-34H,2-5,16,18-19,21H2,1H3,(H2,31,32,35)/t27-/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	6.30	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for its ability to stimulate increase in cAMP in CHO cellsexpressing the cloned human beta-3 adrenergic receptor				Bioorg Med Chem Lett 10: 2111-4 (2000) BindingDB Entry DOI: 10.7270/Q2X929JR
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50072375 (4-(3-Hexyl-ureido)-N-{4-[2-((R)-2-hydroxy-2-pyridi...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C28H37N5O4S/c1-2-3-4-5-18-31-28(35)32-24-12-14-26(15-13-24)38(36,37)33-25-10-8-22(9-11-25)16-19-30-21-27(34)23-7-6-17-29-20-23/h6-15,17,20,27,30,33-34H,2-5,16,18-19,21H2,1H3,(H2,31,32,35)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	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
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50072375 (4-(3-Hexyl-ureido)-N-{4-[2-((R)-2-hydroxy-2-pyridi...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C28H37N5O4S/c1-2-3-4-5-18-31-28(35)32-24-12-14-26(15-13-24)38(36,37)33-25-10-8-22(9-11-25)16-19-30-21-27(34)23-7-6-17-29-20-23/h6-15,17,20,27,30,33-34H,2-5,16,18-19,21H2,1H3,(H2,31,32,35)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards cloned human beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand to stimulate increase in cAMP...				Bioorg Med Chem Lett 9: 1869-74 (1999) BindingDB Entry DOI: 10.7270/Q2FN15D1
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50072375 (4-(3-Hexyl-ureido)-N-{4-[2-((R)-2-hydroxy-2-pyridi...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C28H37N5O4S/c1-2-3-4-5-18-31-28(35)32-24-12-14-26(15-13-24)38(36,37)33-25-10-8-22(9-11-25)16-19-30-21-27(34)23-7-6-17-29-20-23/h6-15,17,20,27,30,33-34H,2-5,16,18-19,21H2,1H3,(H2,31,32,35)/t27-/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	6.30	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro agonistic activity against cloned human beta-3 adrenergic receptor using [125I]-iodocyanopindolol as radioligand to stimulate increase in cA...				Bioorg Med Chem Lett 9: 1869-74 (1999) BindingDB Entry DOI: 10.7270/Q2FN15D1
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50072375 (4-(3-Hexyl-ureido)-N-{4-[2-((R)-2-hydroxy-2-pyridi...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C28H37N5O4S/c1-2-3-4-5-18-31-28(35)32-24-12-14-26(15-13-24)38(36,37)33-25-10-8-22(9-11-25)16-19-30-21-27(34)23-7-6-17-29-20-23/h6-15,17,20,27,30,33-34H,2-5,16,18-19,21H2,1H3,(H2,31,32,35)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.30	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Beta-3 adrenergic receptor				J Med Chem 42: 181-201 (1999) Article DOI: 10.1021/jm980521l BindingDB Entry DOI: 10.7270/Q2T43S8P
					More data for this Ligand-Target Pair