BDBM50124456 CHEMBL176741::Pyridin-3-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)Nc1cccnc1)N1CCOCC1

InChI Key: InChIKey=NNXCMHJFFYTMCA-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 = 50124456   

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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124456 (CHEMBL176741 | Pyridin-3-yl-carbamic acid 4-[5-(2-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#CCOC(=O)Nc1cccnc1)N1CCOCC1 Show InChI InChI=1S/C31H31N7O8S/c1-22-11-12-26(33-20-22)47(40,41)37-28-27(46-25-10-4-3-9-24(25)42-2)29(36-30(35-28)38-14-18-43-19-15-38)44-16-5-6-17-45-31(39)34-23-8-7-13-32-21-23/h3-4,7-13,20-21H,14-19H2,1-2H3,(H,34,39)(H,35,36,37)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	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
EDNRB (Homo sapiens (Human))	BDBM50124456 (CHEMBL176741 | Pyridin-3-yl-carbamic acid 4-[5-(2-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#CCOC(=O)Nc1cccnc1)N1CCOCC1 Show InChI InChI=1S/C31H31N7O8S/c1-22-11-12-26(33-20-22)47(40,41)37-28-27(46-25-10-4-3-9-24(25)42-2)29(36-30(35-28)38-14-18-43-19-15-38)44-16-5-6-17-45-31(39)34-23-8-7-13-32-21-23/h3-4,7-13,20-21H,14-19H2,1-2H3,(H,34,39)(H,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	920	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