BDBM50156259 CHEMBL189081::Pyridine-3-sulfonic acid 3-(2-{(R)-(R)-2-hydroxy-2-[3-(thiophene-2-sulfonylamino)-phenyl]-ethylamino}-propyl)-1H-indol-7-yl ester

SMILES: C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1

InChI Key: InChIKey=IKLSTZJKPLQBND-CLOONOSVSA-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 = 50156259   

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))	BDBM50156259 (CHEMBL189081 | Pyridine-3-sulfonic acid 3-(2-{(R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C28H28N4O6S3/c1-19(30-18-25(33)20-6-2-7-22(15-20)32-40(34,35)27-11-5-13-39-27)14-21-16-31-28-24(21)9-3-10-26(28)38-41(36,37)23-8-4-12-29-17-23/h2-13,15-17,19,25,30-33H,14,18H2,1H3/t19-,25+/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	1.30	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))	BDBM50156259 (CHEMBL189081 | Pyridine-3-sulfonic acid 3-(2-{(R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C28H28N4O6S3/c1-19(30-18-25(33)20-6-2-7-22(15-20)32-40(34,35)27-11-5-13-39-27)14-21-16-31-28-24(21)9-3-10-26(28)38-41(36,37)23-8-4-12-29-17-23/h2-13,15-17,19,25,30-33H,14,18H2,1H3/t19-,25+/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	0.260	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 (Homo sapiens (Human))	BDBM50156259 (CHEMBL189081 | Pyridine-3-sulfonic acid 3-(2-{(R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C28H28N4O6S3/c1-19(30-18-25(33)20-6-2-7-22(15-20)32-40(34,35)27-11-5-13-39-27)14-21-16-31-28-24(21)9-3-10-26(28)38-41(36,37)23-8-4-12-29-17-23/h2-13,15-17,19,25,30-33H,14,18H2,1H3/t19-,25+/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	22	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-2 adrenergic receptor and beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50156259 (CHEMBL189081 | Pyridine-3-sulfonic acid 3-(2-{(R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C28H28N4O6S3/c1-19(30-18-25(33)20-6-2-7-22(15-20)32-40(34,35)27-11-5-13-39-27)14-21-16-31-28-24(21)9-3-10-26(28)38-41(36,37)23-8-4-12-29-17-23/h2-13,15-17,19,25,30-33H,14,18H2,1H3/t19-,25+/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	0.260	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))	BDBM50156259 (CHEMBL189081 | Pyridine-3-sulfonic acid 3-(2-{(R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C28H28N4O6S3/c1-19(30-18-25(33)20-6-2-7-22(15-20)32-40(34,35)27-11-5-13-39-27)14-21-16-31-28-24(21)9-3-10-26(28)38-41(36,37)23-8-4-12-29-17-23/h2-13,15-17,19,25,30-33H,14,18H2,1H3/t19-,25+/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	1.30	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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50156259 (CHEMBL189081 | Pyridine-3-sulfonic acid 3-(2-{(R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C28H28N4O6S3/c1-19(30-18-25(33)20-6-2-7-22(15-20)32-40(34,35)27-11-5-13-39-27)14-21-16-31-28-24(21)9-3-10-26(28)38-41(36,37)23-8-4-12-29-17-23/h2-13,15-17,19,25,30-33H,14,18H2,1H3/t19-,25+/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	22	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