BDBM50124504 5-Isopropyl-pyridine-2-sulfonic acid [6-(4-hydroxy-but-2-ynyloxy)-5-(2-methoxy-phenoxy)-2-morpholin-4-yl-pyrimidin-4-yl]-amide::CHEMBL368828

SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCO)N1CCOCC1

InChI Key: InChIKey=DUZPNAKTFLDXQA-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 = 50124504   

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))	BDBM50124504 (5-Isopropyl-pyridine-2-sulfonic acid [6-(4-hydroxy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCO)N1CCOCC1 Show InChI InChI=1S/C27H31N5O7S/c1-19(2)20-10-11-23(28-18-20)40(34,35)31-25-24(39-22-9-5-4-8-21(22)36-3)26(38-15-7-6-14-33)30-27(29-25)32-12-16-37-17-13-32/h4-5,8-11,18-19,33H,12-17H2,1-3H3,(H,29,30,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	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))	BDBM50124504 (5-Isopropyl-pyridine-2-sulfonic acid [6-(4-hydroxy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCO)N1CCOCC1 Show InChI InChI=1S/C27H31N5O7S/c1-19(2)20-10-11-23(28-18-20)40(34,35)31-25-24(39-22-9-5-4-8-21(22)36-3)26(38-15-7-6-14-33)30-27(29-25)32-12-16-37-17-13-32/h4-5,8-11,18-19,33H,12-17H2,1-3H3,(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49	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