BDBM50419310 CHEMBL1835859

SMILES: NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1

InChI Key: InChIKey=JBVGMTUYOJIQQO-SANMLTNESA-N

Data: 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 4 hits for monomerid = 50419310   

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))	BDBM50419310 (CHEMBL1835859) Show SMILES NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C28H42N4O6/c29-27(36)19-31-28(37)32-24-10-7-9-21(16-24)8-3-6-15-38-14-5-2-1-4-13-30-18-26(35)22-11-12-25(34)23(17-22)20-33/h7,9-12,16-17,26,30,33-35H,1-6,8,13-15,18-20H2,(H2,29,36)(H2,31,32,37)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.251	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 6026-32 (2011) Article DOI: 10.1016/j.bmc.2011.08.043 BindingDB Entry DOI: 10.7270/Q2DB833D
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50419310 (CHEMBL1835859) Show SMILES NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C28H42N4O6/c29-27(36)19-31-28(37)32-24-10-7-9-21(16-24)8-3-6-15-38-14-5-2-1-4-13-30-18-26(35)22-11-12-25(34)23(17-22)20-33/h7,9-12,16-17,26,30,33-35H,1-6,8,13-15,18-20H2,(H2,29,36)(H2,31,32,37)/t26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.251	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response				Bioorg Med Chem 19: 6026-32 (2011) Article DOI: 10.1016/j.bmc.2011.08.043 BindingDB Entry DOI: 10.7270/Q2DB833D
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50419310 (CHEMBL1835859) Show SMILES NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C28H42N4O6/c29-27(36)19-31-28(37)32-24-10-7-9-21(16-24)8-3-6-15-38-14-5-2-1-4-13-30-18-26(35)22-11-12-25(34)23(17-22)20-33/h7,9-12,16-17,26,30,33-35H,1-6,8,13-15,18-20H2,(H2,29,36)(H2,31,32,37)/t26-/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	100	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 6026-32 (2011) Article DOI: 10.1016/j.bmc.2011.08.043 BindingDB Entry DOI: 10.7270/Q2DB833D
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419310 (CHEMBL1835859) Show SMILES NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C28H42N4O6/c29-27(36)19-31-28(37)32-24-10-7-9-21(16-24)8-3-6-15-38-14-5-2-1-4-13-30-18-26(35)22-11-12-25(34)23(17-22)20-33/h7,9-12,16-17,26,30,33-35H,1-6,8,13-15,18-20H2,(H2,29,36)(H2,31,32,37)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 6026-32 (2011) Article DOI: 10.1016/j.bmc.2011.08.043 BindingDB Entry DOI: 10.7270/Q2DB833D
					More data for this Ligand-Target Pair