BDBM50119202 CHEMBL99599::Nonanoic acid [4-(4-{[2-hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-methyl}-piperidine-1-sulfonyl)-phenyl]-amide

SMILES: CCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)CC1

InChI Key: InChIKey=LCRJAKNCIMQCLJ-LJAQVGFWSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50119202   

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))	BDBM50119202 (CHEMBL99599 | Nonanoic acid [4-(4-{[2-hydroxy-2-(4...) Show SMILES CCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)CC1 Show InChI InChI=1S/C30H46N4O7S2/c1-3-4-5-6-7-8-9-30(37)32-25-11-13-26(14-12-25)43(40,41)34-18-16-23(17-19-34)21-31-22-29(36)24-10-15-28(35)27(20-24)33-42(2,38)39/h10-15,20,23,29,31,33,35-36H,3-9,16-19,21-22H2,1-2H3,(H,32,37)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity of compound against Beta-2 adrenergic receptor was determined				Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50119202 (CHEMBL99599 | Nonanoic acid [4-(4-{[2-hydroxy-2-(4...) Show SMILES CCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)CC1 Show InChI InChI=1S/C30H46N4O7S2/c1-3-4-5-6-7-8-9-30(37)32-25-11-13-26(14-12-25)43(40,41)34-18-16-23(17-19-34)21-31-22-29(36)24-10-15-28(35)27(20-24)33-42(2,38)39/h10-15,20,23,29,31,33,35-36H,3-9,16-19,21-22H2,1-2H3,(H,32,37)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity of compound against Beta-1 adrenergic receptor was determined				Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50119202 (CHEMBL99599 | Nonanoic acid [4-(4-{[2-hydroxy-2-(4...) Show SMILES CCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)CC1 Show InChI InChI=1S/C30H46N4O7S2/c1-3-4-5-6-7-8-9-30(37)32-25-11-13-26(14-12-25)43(40,41)34-18-16-23(17-19-34)21-31-22-29(36)24-10-15-28(35)27(20-24)33-42(2,38)39/h10-15,20,23,29,31,33,35-36H,3-9,16-19,21-22H2,1-2H3,(H,32,37)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Beta-3 adrenergic receptor agonist activity as increased cAMP levels in CHO cells expressing human Beta3-adrenoreceptor				Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50119202 (CHEMBL99599 | Nonanoic acid [4-(4-{[2-hydroxy-2-(4...) Show SMILES CCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)CC1 Show InChI InChI=1S/C30H46N4O7S2/c1-3-4-5-6-7-8-9-30(37)32-25-11-13-26(14-12-25)43(40,41)34-18-16-23(17-19-34)21-31-22-29(36)24-10-15-28(35)27(20-24)33-42(2,38)39/h10-15,20,23,29,31,33,35-36H,3-9,16-19,21-22H2,1-2H3,(H,32,37)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	730	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Beta-1 adrenergic receptor agonist activity as increased cAMP levels in CHO cells expressing human Beta1-adrenoreceptor				Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50119202 (CHEMBL99599 | Nonanoic acid [4-(4-{[2-hydroxy-2-(4...) Show SMILES CCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)CC1 Show InChI InChI=1S/C30H46N4O7S2/c1-3-4-5-6-7-8-9-30(37)32-25-11-13-26(14-12-25)43(40,41)34-18-16-23(17-19-34)21-31-22-29(36)24-10-15-28(35)27(20-24)33-42(2,38)39/h10-15,20,23,29,31,33,35-36H,3-9,16-19,21-22H2,1-2H3,(H,32,37)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Beta-2 adrenergic receptor agonist activity as increased cAMP levels in CHO cells expressing human Beta2-adrenoreceptor				Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ
					More data for this Ligand-Target Pair