BDBM50422411 CHEMBL154419

SMILES: C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1

InChI Key: InChIKey=FUQCILPMICPJAL-ACJLOTCBSA-N

Data: 2 IC50  9 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 11 hits for monomerid = 50422411   

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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50422411 (CHEMBL154419) Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production				J Med Chem 49: 2758-71 (2006) Checked by Author Article DOI: 10.1021/jm0509445 BindingDB Entry DOI: 10.7270/Q2KD20D5
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50422411 (CHEMBL154419) Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production				J Med Chem 49: 2758-71 (2006) Checked by Author Article DOI: 10.1021/jm0509445 BindingDB Entry DOI: 10.7270/Q2KD20D5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50422411 (CHEMBL154419) Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production				J Med Chem 49: 2758-71 (2006) Checked by Author Article DOI: 10.1021/jm0509445 BindingDB Entry DOI: 10.7270/Q2KD20D5
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50422411 (CHEMBL154419) Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration				J Med Chem 45: 567-83 (2002) BindingDB Entry DOI: 10.7270/Q2W0976P
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50422411 (CHEMBL154419) Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Receptor binding assay(Beta-2 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r...				J Med Chem 45: 567-83 (2002) BindingDB Entry DOI: 10.7270/Q2W0976P
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50422411 (CHEMBL154419) Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem Lett 17: 4670-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.069 BindingDB Entry DOI: 10.7270/Q2NV9N1V
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50422411 (CHEMBL154419) Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Ability to cause cAMP accumulation in CHO cells expressing human beta-2 AR expressed as the negative logarithm of the molar drug concentration				J Med Chem 45: 567-83 (2002) BindingDB Entry DOI: 10.7270/Q2W0976P
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50422411 (CHEMBL154419) Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Receptor binding assay(Beta-1 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r...				J Med Chem 45: 567-83 (2002) BindingDB Entry DOI: 10.7270/Q2W0976P
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50422411 (CHEMBL154419) Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem Lett 17: 4670-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.069 BindingDB Entry DOI: 10.7270/Q2NV9N1V
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50422411 (CHEMBL154419) Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human beta-3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem Lett 17: 4670-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.069 BindingDB Entry DOI: 10.7270/Q2NV9N1V
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50422411 (CHEMBL154419) Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expressed as the negative logarithm of the molar drug concentration				J Med Chem 45: 567-83 (2002) BindingDB Entry DOI: 10.7270/Q2W0976P
					More data for this Ligand-Target Pair