BDBM50124485 CHEMBL367036::Phenyl-carbamic acid 4-[6-(5-isopropyl-pyridine-2-sulfonylamino)-5-(2-methoxy-phenoxy)-2-pyridin-4-yl-pyrimidin-4-yloxy]-but-2-ynyl ester

SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1ccccc1)-c1ccncc1

InChI Key: InChIKey=DTDRDEIFMKNNTL-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 = 50124485   

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))	BDBM50124485 (CHEMBL367036 | Phenyl-carbamic acid 4-[6-(5-isopro...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1ccccc1)-c1ccncc1 Show InChI InChI=1S/C35H32N6O7S/c1-24(2)26-15-16-30(37-23-26)49(43,44)41-33-31(48-29-14-8-7-13-28(29)45-3)34(40-32(39-33)25-17-19-36-20-18-25)46-21-9-10-22-47-35(42)38-27-11-5-4-6-12-27/h4-8,11-20,23-24H,21-22H2,1-3H3,(H,38,42)(H,39,40,41)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	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))	BDBM50124485 (CHEMBL367036 | Phenyl-carbamic acid 4-[6-(5-isopro...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1ccccc1)-c1ccncc1 Show InChI InChI=1S/C35H32N6O7S/c1-24(2)26-15-16-30(37-23-26)49(43,44)41-33-31(48-29-14-8-7-13-28(29)45-3)34(40-32(39-33)25-17-19-36-20-18-25)46-21-9-10-22-47-35(42)38-27-11-5-4-6-12-27/h4-8,11-20,23-24H,21-22H2,1-3H3,(H,38,42)(H,39,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	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