BDBM50093036 CHEMBL76403::N-[6-(6,7-Dihydroxy-1,2,3,4-tetrahydro-isoquinolin-1-ylmethoxy)-naphthalen-2-yl]-4-(3-hexyl-ureido)-benzenesulfonamide

SMILES: CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc2cc(OCC3NCCc4cc(O)c(O)cc34)ccc2c1

InChI Key: InChIKey=GDXZPGVRXBBEKQ-UHFFFAOYSA-N

Data: 2 IC50  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 5 hits for monomerid = 50093036   

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))	BDBM50093036 (CHEMBL76403 | N-[6-(6,7-Dihydroxy-1,2,3,4-tetrahyd...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc2cc(OCC3NCCc4cc(O)c(O)cc34)ccc2c1 Show InChI InChI=1S/C33H38N4O6S/c1-2-3-4-5-15-35-33(40)36-25-9-12-28(13-10-25)44(41,42)37-26-8-6-23-18-27(11-7-22(23)17-26)43-21-30-29-20-32(39)31(38)19-24(29)14-16-34-30/h6-13,17-20,30,34,37-39H,2-5,14-16,21H2,1H3,(H2,35,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human beta1 adrenergic receptor (AR) at a concentration of 10000 nm				Bioorg Med Chem Lett 10: 2283-6 (2001) BindingDB Entry DOI: 10.7270/Q2F47NCG
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50093036 (CHEMBL76403 | N-[6-(6,7-Dihydroxy-1,2,3,4-tetrahyd...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc2cc(OCC3NCCc4cc(O)c(O)cc34)ccc2c1 Show InChI InChI=1S/C33H38N4O6S/c1-2-3-4-5-15-35-33(40)36-25-9-12-28(13-10-25)44(41,42)37-26-8-6-23-18-27(11-7-22(23)17-26)43-21-30-29-20-32(39)31(38)19-24(29)14-16-34-30/h6-13,17-20,30,34,37-39H,2-5,14-16,21H2,1H3,(H2,35,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against CHO cells expressing human Beta-2 adrenergic receptor with [125I]-iodocyanopindolol				Bioorg Med Chem Lett 10: 2283-6 (2001) BindingDB Entry DOI: 10.7270/Q2F47NCG
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50093036 (CHEMBL76403 | N-[6-(6,7-Dihydroxy-1,2,3,4-tetrahyd...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc2cc(OCC3NCCc4cc(O)c(O)cc34)ccc2c1 Show InChI InChI=1S/C33H38N4O6S/c1-2-3-4-5-15-35-33(40)36-25-9-12-28(13-10-25)44(41,42)37-26-8-6-23-18-27(11-7-22(23)17-26)43-21-30-29-20-32(39)31(38)19-24(29)14-16-34-30/h6-13,17-20,30,34,37-39H,2-5,14-16,21H2,1H3,(H2,35,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against CHO cells expressing the cloned human beta1 adrenergic receptor (AR) in the presence of [1...				Bioorg Med Chem Lett 10: 2283-6 (2001) BindingDB Entry DOI: 10.7270/Q2F47NCG
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50093036 (CHEMBL76403 | N-[6-(6,7-Dihydroxy-1,2,3,4-tetrahyd...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc2cc(OCC3NCCc4cc(O)c(O)cc34)ccc2c1 Show InChI InChI=1S/C33H38N4O6S/c1-2-3-4-5-15-35-33(40)36-25-9-12-28(13-10-25)44(41,42)37-26-8-6-23-18-27(11-7-22(23)17-26)43-21-30-29-20-32(39)31(38)19-24(29)14-16-34-30/h6-13,17-20,30,34,37-39H,2-5,14-16,21H2,1H3,(H2,35,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human beta2 adrenergic receptor (AR)				Bioorg Med Chem Lett 10: 2283-6 (2001) BindingDB Entry DOI: 10.7270/Q2F47NCG
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50093036 (CHEMBL76403 | N-[6-(6,7-Dihydroxy-1,2,3,4-tetrahyd...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc2cc(OCC3NCCc4cc(O)c(O)cc34)ccc2c1 Show InChI InChI=1S/C33H38N4O6S/c1-2-3-4-5-15-35-33(40)36-25-9-12-28(13-10-25)44(41,42)37-26-8-6-23-18-27(11-7-22(23)17-26)43-21-30-29-20-32(39)31(38)19-24(29)14-16-34-30/h6-13,17-20,30,34,37-39H,2-5,14-16,21H2,1H3,(H2,35,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	78	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human beta3 adrenergic receptor (AR)				Bioorg Med Chem Lett 10: 2283-6 (2001) BindingDB Entry DOI: 10.7270/Q2F47NCG
					More data for this Ligand-Target Pair