BDBM50124454 4-tert-Butyl-N-{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}-benzenesulfonamide::CHEMBL368117

SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#C)-c1ccnc(c1)-c1nc(=O)o[nH]1

InChI Key: InChIKey=BYCLKBXHEZQIHD-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 = 50124454   

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))	BDBM50124454 (4-tert-Butyl-N-{5-(2-methoxy-phenoxy)-2-[2-(5-oxo-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#C)-c1ccnc(c1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C31H28N6O7S/c1-6-17-42-29-25(43-24-10-8-7-9-23(24)41-5)28(37-45(39,40)21-13-11-20(12-14-21)31(2,3)4)33-26(34-29)19-15-16-32-22(18-19)27-35-30(38)44-36-27/h1,7-16,18H,17H2,2-5H3,(H,33,34,37)(H,35,36,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	238	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))	BDBM50124454 (4-tert-Butyl-N-{5-(2-methoxy-phenoxy)-2-[2-(5-oxo-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#C)-c1ccnc(c1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C31H28N6O7S/c1-6-17-42-29-25(43-24-10-8-7-9-23(24)41-5)28(37-45(39,40)21-13-11-20(12-14-21)31(2,3)4)33-26(34-29)19-15-16-32-22(18-19)27-35-30(38)44-36-27/h1,7-16,18H,17H2,2-5H3,(H,33,34,37)(H,35,36,38)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	66	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