BDBM50124494 5-Methyl-pyridine-2-sulfonic acid {5-(2-methoxy-phenoxy)-2-[2-(5-oxo-2,5-dihydro-[1,2,4]oxadiazol-3-yl)-pyridin-4-yl]-6-prop-2-ynyloxy-pyrimidin-4-yl}-amide::CHEMBL170401

SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#C)-c1ccnc(c1)-c1nc(=O)o[nH]1

InChI Key: InChIKey=DCVQYDDFMCVONG-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 = 50124494   

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))	BDBM50124494 (5-Methyl-pyridine-2-sulfonic acid {5-(2-methoxy-ph...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#C)-c1ccnc(c1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C27H21N7O7S/c1-4-13-39-26-22(40-20-8-6-5-7-19(20)38-3)25(34-42(36,37)21-10-9-16(2)15-29-21)30-23(31-26)17-11-12-28-18(14-17)24-32-27(35)41-33-24/h1,5-12,14-15H,13H2,2-3H3,(H,30,31,34)(H,32,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	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))	BDBM50124494 (5-Methyl-pyridine-2-sulfonic acid {5-(2-methoxy-ph...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#C)-c1ccnc(c1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C27H21N7O7S/c1-4-13-39-26-22(40-20-8-6-5-7-19(20)38-3)25(34-42(36,37)21-10-9-16(2)15-29-21)30-23(31-26)17-11-12-28-18(14-17)24-32-27(35)41-33-24/h1,5-12,14-15H,13H2,2-3H3,(H,30,31,34)(H,32,33,35)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	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