BDBM50124453 CHEMBL175058::Pyrazin-2-yl-carbamic acid 4-[5-(2-methoxy-phenoxy)-6-(5-methyl-pyridine-2-sulfonylamino)-2-morpholin-4-yl-pyrimidin-4-yloxy]-but-2-ynyl ester

SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#CCOC(=O)Nc1cnccn1)N1CCOCC1

InChI Key: InChIKey=SQHRONMOLLICCQ-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 = 50124453   

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))	BDBM50124453 (CHEMBL175058 | Pyrazin-2-yl-carbamic acid 4-[5-(2-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#CCOC(=O)Nc1cnccn1)N1CCOCC1 Show InChI InChI=1S/C30H30N8O8S/c1-21-9-10-25(33-19-21)47(40,41)37-27-26(46-23-8-4-3-7-22(23)42-2)28(36-29(35-27)38-13-17-43-18-14-38)44-15-5-6-16-45-30(39)34-24-20-31-11-12-32-24/h3-4,7-12,19-20H,13-18H2,1-2H3,(H,32,34,39)(H,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124453 (CHEMBL175058 | Pyrazin-2-yl-carbamic acid 4-[5-(2-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#CCOC(=O)Nc1cnccn1)N1CCOCC1 Show InChI InChI=1S/C30H30N8O8S/c1-21-9-10-25(33-19-21)47(40,41)37-27-26(46-23-8-4-3-7-22(23)42-2)28(36-29(35-27)38-13-17-43-18-14-38)44-15-5-6-16-45-30(39)34-24-20-31-11-12-32-24/h3-4,7-12,19-20H,13-18H2,1-2H3,(H,32,34,39)(H,35,36,37)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 955-9 (2003) BindingDB Entry DOI: 10.7270/Q28C9VK8
					More data for this Ligand-Target Pair