BDBM50124502 4-tert-Butyl-N-[6-but-2-ynyloxy-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-benzenesulfonamide::CHEMBL174607

SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#CC)-c1ncccn1

InChI Key: InChIKey=LQWPXZAKPMZPOE-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 = 50124502   

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))	BDBM50124502 (4-tert-Butyl-N-[6-but-2-ynyloxy-5-(2-methoxy-pheno...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#CC)-c1ncccn1 Show InChI InChI=1S/C29H29N5O5S/c1-6-7-19-38-28-24(39-23-12-9-8-11-22(23)37-5)25(32-27(33-28)26-30-17-10-18-31-26)34-40(35,36)21-15-13-20(14-16-21)29(2,3)4/h8-18H,19H2,1-5H3,(H,32,33,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	85	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))	BDBM50124502 (4-tert-Butyl-N-[6-but-2-ynyloxy-5-(2-methoxy-pheno...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#CC)-c1ncccn1 Show InChI InChI=1S/C29H29N5O5S/c1-6-7-19-38-28-24(39-23-12-9-8-11-22(23)37-5)25(32-27(33-28)26-30-17-10-18-31-26)34-40(35,36)21-15-13-20(14-16-21)29(2,3)4/h8-18H,19H2,1-5H3,(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.17E+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