BDBM50156248 Benzenesulfonic acid 3-(2-{(R)-(R)-2-hydroxy-2-[3-(thiophene-2-sulfonylamino)-phenyl]-ethylamino}-propyl)-1H-indol-7-yl ester::CHEMBL187209

SMILES: C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1

InChI Key: InChIKey=GCQVZQCNVVPWFA-IBVKSMDESA-N

Data: 6 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 6 hits for monomerid = 50156248   

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))	BDBM50156248 (Benzenesulfonic acid 3-(2-{(R)-(R)-2-hydroxy-2-[3-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C29H29N3O6S3/c1-20(30-19-26(33)21-8-5-9-23(17-21)32-40(34,35)28-14-7-15-39-28)16-22-18-31-29-25(22)12-6-13-27(29)38-41(36,37)24-10-3-2-4-11-24/h2-15,17-18,20,26,30-33H,16,19H2,1H3/t20-,26+/m1/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	3.10	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonistic activity was determined by measuring cAMP accumulation in CHO cells expressing cloned human Beta-2 adrenergic receptor				Bioorg Med Chem Lett 14: 5959-62 (2004) Article DOI: 10.1016/j.bmcl.2004.10.035 BindingDB Entry DOI: 10.7270/Q2GQ6X7S
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50156248 (Benzenesulfonic acid 3-(2-{(R)-(R)-2-hydroxy-2-[3-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C29H29N3O6S3/c1-20(30-19-26(33)21-8-5-9-23(17-21)32-40(34,35)28-14-7-15-39-28)16-22-18-31-29-25(22)12-6-13-27(29)38-41(36,37)24-10-3-2-4-11-24/h2-15,17-18,20,26,30-33H,16,19H2,1H3/t20-,26+/m1/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	0.870	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-3 adrenergic receptor				Bioorg Med Chem Lett 14: 5959-62 (2004) Article DOI: 10.1016/j.bmcl.2004.10.035 BindingDB Entry DOI: 10.7270/Q2GQ6X7S
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50156248 (Benzenesulfonic acid 3-(2-{(R)-(R)-2-hydroxy-2-[3-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C29H29N3O6S3/c1-20(30-19-26(33)21-8-5-9-23(17-21)32-40(34,35)28-14-7-15-39-28)16-22-18-31-29-25(22)12-6-13-27(29)38-41(36,37)24-10-3-2-4-11-24/h2-15,17-18,20,26,30-33H,16,19H2,1H3/t20-,26+/m1/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	0.870	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Agonist activity at Homo sapiens (human) beta3 adrenoreceptor				Med Chem Res 19: 1121-1140 (2010) Article DOI: 10.1007/s00044-009-9257-x BindingDB Entry DOI: 10.7270/Q2057JTC
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50156248 (Benzenesulfonic acid 3-(2-{(R)-(R)-2-hydroxy-2-[3-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C29H29N3O6S3/c1-20(30-19-26(33)21-8-5-9-23(17-21)32-40(34,35)28-14-7-15-39-28)16-22-18-31-29-25(22)12-6-13-27(29)38-41(36,37)24-10-3-2-4-11-24/h2-15,17-18,20,26,30-33H,16,19H2,1H3/t20-,26+/m1/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	3.10	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Agonist activity at Homo sapiens (human) beta1 adrenoreceptor				Med Chem Res 19: 1121-1140 (2010) Article DOI: 10.1007/s00044-009-9257-x BindingDB Entry DOI: 10.7270/Q2057JTC
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50156248 (Benzenesulfonic acid 3-(2-{(R)-(R)-2-hydroxy-2-[3-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C29H29N3O6S3/c1-20(30-19-26(33)21-8-5-9-23(17-21)32-40(34,35)28-14-7-15-39-28)16-22-18-31-29-25(22)12-6-13-27(29)38-41(36,37)24-10-3-2-4-11-24/h2-15,17-18,20,26,30-33H,16,19H2,1H3/t20-,26+/m1/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	72	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Agonist activity at Homo sapiens (human) beta2 adrenoreceptor				Med Chem Res 19: 1121-1140 (2010) Article DOI: 10.1007/s00044-009-9257-x BindingDB Entry DOI: 10.7270/Q2057JTC
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50156248 (Benzenesulfonic acid 3-(2-{(R)-(R)-2-hydroxy-2-[3-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C29H29N3O6S3/c1-20(30-19-26(33)21-8-5-9-23(17-21)32-40(34,35)28-14-7-15-39-28)16-22-18-31-29-25(22)12-6-13-27(29)38-41(36,37)24-10-3-2-4-11-24/h2-15,17-18,20,26,30-33H,16,19H2,1H3/t20-,26+/m1/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	72	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-1 adrenergic receptor				Bioorg Med Chem Lett 14: 5959-62 (2004) Article DOI: 10.1016/j.bmcl.2004.10.035 BindingDB Entry DOI: 10.7270/Q2GQ6X7S
					More data for this Ligand-Target Pair