BDBM50156253 4-[3-(2-{(R)-(R)-2-Hydroxy-2-[3-(thiophene-2-sulfonylamino)-phenyl]-ethylamino}-propyl)-1H-indol-7-yloxysulfonyl]-benzoic acid ethyl ester::CHEMBL186236

SMILES: CCOC(=O)c1ccc(cc1)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12

InChI Key: InChIKey=WKBLQNSAOBQMPB-PIKZIKFNSA-N

Data: 3 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 3 hits for monomerid = 50156253   

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))	BDBM50156253 (4-[3-(2-{(R)-(R)-2-Hydroxy-2-[3-(thiophene-2-sulfo...) Show SMILES CCOC(=O)c1ccc(cc1)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 Show InChI InChI=1S/C32H33N3O8S3/c1-3-42-32(37)22-12-14-26(15-13-22)46(40,41)43-29-10-5-9-27-24(19-34-31(27)29)17-21(2)33-20-28(36)23-7-4-8-25(18-23)35-45(38,39)30-11-6-16-44-30/h4-16,18-19,21,28,33-36H,3,17,20H2,1-2H3/t21-,28+/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	7.20	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))	BDBM50156253 (4-[3-(2-{(R)-(R)-2-Hydroxy-2-[3-(thiophene-2-sulfo...) Show SMILES CCOC(=O)c1ccc(cc1)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 Show InChI InChI=1S/C32H33N3O8S3/c1-3-42-32(37)22-12-14-26(15-13-22)46(40,41)43-29-10-5-9-27-24(19-34-31(27)29)17-21(2)33-20-28(36)23-7-4-8-25(18-23)35-45(38,39)30-11-6-16-44-30/h4-16,18-19,21,28,33-36H,3,17,20H2,1-2H3/t21-,28+/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	1.20	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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50156253 (4-[3-(2-{(R)-(R)-2-Hydroxy-2-[3-(thiophene-2-sulfo...) Show SMILES CCOC(=O)c1ccc(cc1)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 Show InChI InChI=1S/C32H33N3O8S3/c1-3-42-32(37)22-12-14-26(15-13-22)46(40,41)43-29-10-5-9-27-24(19-34-31(27)29)17-21(2)33-20-28(36)23-7-4-8-25(18-23)35-45(38,39)30-11-6-16-44-30/h4-16,18-19,21,28,33-36H,3,17,20H2,1-2H3/t21-,28+/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	58	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