BDBM50124505 5-Isopropyl-pyridine-2-sulfonic acid [5-(2-methoxy-phenoxy)-6-prop-2-ynyloxy-[2,2']bipyrimidinyl-4-yl]-amide::CHEMBL172184

SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#C)-c1ncccn1

InChI Key: InChIKey=QHNZRGHKEBXFTP-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 = 50124505   

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))	BDBM50124505 (5-Isopropyl-pyridine-2-sulfonic acid [5-(2-methoxy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#C)-c1ncccn1 Show InChI InChI=1S/C26H24N6O5S/c1-5-15-36-26-22(37-20-10-7-6-9-19(20)35-4)23(30-25(31-26)24-27-13-8-14-28-24)32-38(33,34)21-12-11-18(16-29-21)17(2)3/h1,6-14,16-17H,15H2,2-4H3,(H,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.95E+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))	BDBM50124505 (5-Isopropyl-pyridine-2-sulfonic acid [5-(2-methoxy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#C)-c1ncccn1 Show InChI InChI=1S/C26H24N6O5S/c1-5-15-36-26-22(37-20-10-7-6-9-19(20)35-4)23(30-25(31-26)24-27-13-8-14-28-24)32-38(33,34)21-12-11-18(16-29-21)17(2)3/h1,6-14,16-17H,15H2,2-4H3,(H,30,31,32)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	96	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