BDBM50124473 4-tert-Butyl-N-[2-(2-hydroxymethyl-pyridin-4-yl)-5-(2-methoxy-phenoxy)-6-prop-2-ynyloxy-pyrimidin-4-yl]-benzenesulfonamide::CHEMBL368829

SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#C)-c1ccnc(CO)c1

InChI Key: InChIKey=IKSWGOKQGJQKIW-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 = 50124473   

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))	BDBM50124473 (4-tert-Butyl-N-[2-(2-hydroxymethyl-pyridin-4-yl)-5...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#C)-c1ccnc(CO)c1 Show InChI InChI=1S/C30H30N4O6S/c1-6-17-39-29-26(40-25-10-8-7-9-24(25)38-5)28(32-27(33-29)20-15-16-31-22(18-20)19-35)34-41(36,37)23-13-11-21(12-14-23)30(2,3)4/h1,7-16,18,35H,17,19H2,2-5H3,(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	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))	BDBM50124473 (4-tert-Butyl-N-[2-(2-hydroxymethyl-pyridin-4-yl)-5...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#C)-c1ccnc(CO)c1 Show InChI InChI=1S/C30H30N4O6S/c1-6-17-39-29-26(40-25-10-8-7-9-24(25)38-5)28(32-27(33-29)20-15-16-31-22(18-20)19-35)34-41(36,37)23-13-11-21(12-14-23)30(2,3)4/h1,7-16,18,35H,17,19H2,2-5H3,(H,32,33,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	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