BDBM50518970 CHEMBL4474813

SMILES: CC(C)NC[C@H](O)COc1ccccc1CC(=O)NCCNC(=O)Cc1ccccc1OC[C@@H](O)CNC(C)C

InChI Key: InChIKey=IXPWDDPUUFFEMJ-UIOOFZCWSA-N

Data: 2 KI  3 IC50

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 = 50518970   

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))	BDBM50518970 (CHEMBL4474813) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CC(=O)NCCNC(=O)Cc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C30H46N4O6/c1-21(2)33-17-25(35)19-39-27-11-7-5-9-23(27)15-29(37)31-13-14-32-30(38)16-24-10-6-8-12-28(24)40-20-26(36)18-34-22(3)4/h5-12,21-22,25-26,33-36H,13-20H2,1-4H3,(H,31,37)(H,32,38)/t25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	468	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518970 (CHEMBL4474813) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CC(=O)NCCNC(=O)Cc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C30H46N4O6/c1-21(2)33-17-25(35)19-39-27-11-7-5-9-23(27)15-29(37)31-13-14-32-30(38)16-24-10-6-8-12-28(24)40-20-26(36)18-34-22(3)4/h5-12,21-22,25-26,33-36H,13-20H2,1-4H3,(H,31,37)(H,32,38)/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50518970 (CHEMBL4474813) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CC(=O)NCCNC(=O)Cc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C30H46N4O6/c1-21(2)33-17-25(35)19-39-27-11-7-5-9-23(27)15-29(37)31-13-14-32-30(38)16-24-10-6-8-12-28(24)40-20-26(36)18-34-22(3)4/h5-12,21-22,25-26,33-36H,13-20H2,1-4H3,(H,31,37)(H,32,38)/t25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at beta2 adrenergic receptor (unknown origin) expressed in HEK293 cell assessed as inhibition of isoproterenol-induced cAMP produ...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50518970 (CHEMBL4474813) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CC(=O)NCCNC(=O)Cc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C30H46N4O6/c1-21(2)33-17-25(35)19-39-27-11-7-5-9-23(27)15-29(37)31-13-14-32-30(38)16-24-10-6-8-12-28(24)40-20-26(36)18-34-22(3)4/h5-12,21-22,25-26,33-36H,13-20H2,1-4H3,(H,31,37)(H,32,38)/t25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes assessed as inhibition of isoproterenol-i...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50518970 (CHEMBL4474813) Show SMILES CC(C)NC[C@H](O)COc1ccccc1CC(=O)NCCNC(=O)Cc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C30H46N4O6/c1-21(2)33-17-25(35)19-39-27-11-7-5-9-23(27)15-29(37)31-13-14-32-30(38)16-24-10-6-8-12-28(24)40-20-26(36)18-34-22(3)4/h5-12,21-22,25-26,33-36H,13-20H2,1-4H3,(H,31,37)(H,32,38)/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes assessed as inhibition of isoproterenol-i...				J Med Chem 62: 7806-7839 (2019) Article DOI: 10.1021/acs.jmedchem.9b00595
					More data for this Ligand-Target Pair