BDBM50124466 5-Methyl-pyridine-2-sulfonic acid [6-(4-hydroxy-but-2-ynyloxy)-5-(2-methoxy-phenoxy)-2-pyridin-4-yl-pyrimidin-4-yl]-amide::CHEMBL175111

SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#CCO)-c1ccncc1

InChI Key: InChIKey=PYTGPPKMIDNVTB-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 = 50124466   

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))	BDBM50124466 (5-Methyl-pyridine-2-sulfonic acid [6-(4-hydroxy-bu...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#CCO)-c1ccncc1 Show InChI InChI=1S/C26H23N5O6S/c1-18-9-10-22(28-17-18)38(33,34)31-25-23(37-21-8-4-3-7-20(21)35-2)26(36-16-6-5-15-32)30-24(29-25)19-11-13-27-14-12-19/h3-4,7-14,17,32H,15-16H2,1-2H3,(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.52E+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))	BDBM50124466 (5-Methyl-pyridine-2-sulfonic acid [6-(4-hydroxy-bu...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#CCO)-c1ccncc1 Show InChI InChI=1S/C26H23N5O6S/c1-18-9-10-22(28-17-18)38(33,34)31-25-23(37-21-8-4-3-7-20(21)35-2)26(36-16-6-5-15-32)30-24(29-25)19-11-13-27-14-12-19/h3-4,7-14,17,32H,15-16H2,1-2H3,(H,29,30,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	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