BDBM50124474 CHEMBL94786::Pyridin-2-yl-carbamic acid 4-[6-(5-isopropyl-pyridine-2-sulfonylamino)-5-(2-methoxy-phenoxy)-2-morpholin-4-yl-pyrimidin-4-yloxy]-but-2-ynyl ester

SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1ccccn1)N1CCOCC1

InChI Key: InChIKey=ITRTVLHSTSAZIL-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 = 50124474   

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))	BDBM50124474 (CHEMBL94786 | Pyridin-2-yl-carbamic acid 4-[6-(5-i...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1ccccn1)N1CCOCC1 Show InChI InChI=1S/C33H35N7O8S/c1-23(2)24-13-14-28(35-22-24)49(42,43)39-30-29(48-26-11-5-4-10-25(26)44-3)31(38-32(37-30)40-16-20-45-21-17-40)46-18-8-9-19-47-33(41)36-27-12-6-7-15-34-27/h4-7,10-15,22-23H,16-21H2,1-3H3,(H,34,36,41)(H,37,38,39)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	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))	BDBM50124474 (CHEMBL94786 | Pyridin-2-yl-carbamic acid 4-[6-(5-i...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1ccccn1)N1CCOCC1 Show InChI InChI=1S/C33H35N7O8S/c1-23(2)24-13-14-28(35-22-24)49(42,43)39-30-29(48-26-11-5-4-10-25(26)44-3)31(38-32(37-30)40-16-20-45-21-17-40)46-18-8-9-19-47-33(41)36-27-12-6-7-15-34-27/h4-7,10-15,22-23H,16-21H2,1-3H3,(H,34,36,41)(H,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	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