BDBM50124468 5-Methyl-pyridine-2-sulfonic acid [5-(2-methoxy-phenoxy)-6-prop-2-ynyloxy-2-pyridin-4-yl-pyrimidin-4-yl]-amide::CHEMBL174326

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

InChI Key: InChIKey=CSKOXMVENMNMHJ-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 = 50124468   

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))	BDBM50124468 (5-Methyl-pyridine-2-sulfonic acid [5-(2-methoxy-ph...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#C)-c1ccncc1 Show InChI InChI=1S/C25H21N5O5S/c1-4-15-34-25-22(35-20-8-6-5-7-19(20)33-3)24(28-23(29-25)18-11-13-26-14-12-18)30-36(31,32)21-10-9-17(2)16-27-21/h1,5-14,16H,15H2,2-3H3,(H,28,29,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	94	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))	BDBM50124468 (5-Methyl-pyridine-2-sulfonic acid [5-(2-methoxy-ph...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#C)-c1ccncc1 Show InChI InChI=1S/C25H21N5O5S/c1-4-15-34-25-22(35-20-8-6-5-7-19(20)33-3)24(28-23(29-25)18-11-13-26-14-12-18)30-36(31,32)21-10-9-17(2)16-27-21/h1,5-14,16H,15H2,2-3H3,(H,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.58E+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