BDBM50124495 CHEMBL366885::Pyridin-4-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)Nc1ccncc1)N1CCOCC1

InChI Key: InChIKey=PQJLYRULHJYQDW-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 = 50124495   

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))	BDBM50124495 (CHEMBL366885 | Pyridin-4-yl-carbamic acid 4-[5-(2-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#CCOC(=O)Nc1ccncc1)N1CCOCC1 Show InChI InChI=1S/C31H31N7O8S/c1-22-9-10-26(33-21-22)47(40,41)37-28-27(46-25-8-4-3-7-24(25)42-2)29(36-30(35-28)38-15-19-43-20-16-38)44-17-5-6-18-45-31(39)34-23-11-13-32-14-12-23/h3-4,7-14,21H,15-20H2,1-2H3,(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	656	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))	BDBM50124495 (CHEMBL366885 | Pyridin-4-yl-carbamic acid 4-[5-(2-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#CCOC(=O)Nc1ccncc1)N1CCOCC1 Show InChI InChI=1S/C31H31N7O8S/c1-22-9-10-26(33-21-22)47(40,41)37-28-27(46-25-8-4-3-7-24(25)42-2)29(36-30(35-28)38-15-19-43-20-16-38)44-17-5-6-18-45-31(39)34-23-11-13-32-14-12-23/h3-4,7-14,21H,15-20H2,1-2H3,(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	12	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