BDBM50124442 CHEMBL276949::Thiophene-2-sulfonic acid {3-[6-(4-tert-butyl-benzenesulfonylamino)-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yloxy]-propyl}-amide

SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCCNS(=O)(=O)c1cccs1)-c1ncccn1

InChI Key: InChIKey=HDWHUKBOFNHSSO-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50124442   

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
EDNRB (Homo sapiens (Human))	BDBM50124442 (CHEMBL276949 | Thiophene-2-sulfonic acid {3-[6-(4-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCCNS(=O)(=O)c1cccs1)-c1ncccn1 Show InChI InChI=1S/C32H34N6O7S3/c1-32(2,3)22-13-15-23(16-14-22)47(39,40)38-28-27(45-25-11-6-5-10-24(25)43-4)31(37-30(36-28)29-33-17-8-18-34-29)44-20-9-19-35-48(41,42)26-12-7-21-46-26/h5-8,10-18,21,35H,9,19-20H2,1-4H3,(H,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor				Bioorg Med Chem Lett 13: 951-4 (2003) BindingDB Entry DOI: 10.7270/Q2D50M9J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124442 (CHEMBL276949 | Thiophene-2-sulfonic acid {3-[6-(4-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCCNS(=O)(=O)c1cccs1)-c1ncccn1 Show InChI InChI=1S/C32H34N6O7S3/c1-32(2,3)22-13-15-23(16-14-22)47(39,40)38-28-27(45-25-11-6-5-10-24(25)43-4)31(37-30(36-28)29-33-17-8-18-34-29)44-20-9-19-35-48(41,42)26-12-7-21-46-26/h5-8,10-18,21,35H,9,19-20H2,1-4H3,(H,36,37,38)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 951-4 (2003) BindingDB Entry DOI: 10.7270/Q2D50M9J
					More data for this Ligand-Target Pair