BDBM50124446 5-Isopropyl-pyridine-2-sulfonic acid {2-cyclopropyl-5-(2-methoxy-phenoxy)-6-[3-(thiophene-2-sulfonylamino)-propoxy]-pyrimidin-4-yl}-amide::CHEMBL367444

SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCCNS(=O)(=O)c1cccs1)C1CC1

InChI Key: InChIKey=AEDJOIBTFWFFLB-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50124446   

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))	BDBM50124446 (5-Isopropyl-pyridine-2-sulfonic acid {2-cyclopropy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCCNS(=O)(=O)c1cccs1)C1CC1 Show InChI InChI=1S/C29H33N5O7S3/c1-19(2)21-13-14-24(30-18-21)43(35,36)34-28-26(41-23-9-5-4-8-22(23)39-3)29(33-27(32-28)20-11-12-20)40-16-7-15-31-44(37,38)25-10-6-17-42-25/h4-6,8-10,13-14,17-20,31H,7,11-12,15-16H2,1-3H3,(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETB receptor				Bioorg Med Chem Lett 13: 951-4 (2003) BindingDB Entry DOI: 10.7270/Q2D50M9J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50124446 (5-Isopropyl-pyridine-2-sulfonic acid {2-cyclopropy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCCNS(=O)(=O)c1cccs1)C1CC1 Show InChI InChI=1S/C29H33N5O7S3/c1-19(2)21-13-14-24(30-18-21)43(35,36)34-28-26(41-23-9-5-4-8-22(23)39-3)29(33-27(32-28)20-11-12-20)40-16-7-15-31-44(37,38)25-10-6-17-42-25/h4-6,8-10,13-14,17-20,31H,7,11-12,15-16H2,1-3H3,(H,32,33,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor				Bioorg Med Chem Lett 13: 951-4 (2003) BindingDB Entry DOI: 10.7270/Q2D50M9J
					More data for this Ligand-Target Pair
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50124446 (5-Isopropyl-pyridine-2-sulfonic acid {2-cyclopropy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCCNS(=O)(=O)c1cccs1)C1CC1 Show InChI InChI=1S/C29H33N5O7S3/c1-19(2)21-13-14-24(30-18-21)43(35,36)34-28-26(41-23-9-5-4-8-22(23)39-3)29(33-27(32-28)20-11-12-20)40-16-7-15-31-44(37,38)25-10-6-17-42-25/h4-6,8-10,13-14,17-20,31H,7,11-12,15-16H2,1-3H3,(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-ET-1 from human ETB receptor expressed in CHO cell membranes after 2 hrs by scintillation counting				Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014
					More data for this Ligand-Target Pair
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50124446 (5-Isopropyl-pyridine-2-sulfonic acid {2-cyclopropy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCCNS(=O)(=O)c1cccs1)C1CC1 Show InChI InChI=1S/C29H33N5O7S3/c1-19(2)21-13-14-24(30-18-21)43(35,36)34-28-26(41-23-9-5-4-8-22(23)39-3)29(33-27(32-28)20-11-12-20)40-16-7-15-31-44(37,38)25-10-6-17-42-25/h4-6,8-10,13-14,17-20,31H,7,11-12,15-16H2,1-3H3,(H,32,33,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-ET-1 from human ETA receptor expressed in CHO cell membranes after 2 hrs by scintillation counting				Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014
					More data for this Ligand-Target Pair
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50124446 (5-Isopropyl-pyridine-2-sulfonic acid {2-cyclopropy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCCNS(=O)(=O)c1cccs1)C1CC1 Show InChI InChI=1S/C29H33N5O7S3/c1-19(2)21-13-14-24(30-18-21)43(35,36)34-28-26(41-23-9-5-4-8-22(23)39-3)29(33-27(32-28)20-11-12-20)40-16-7-15-31-44(37,38)25-10-6-17-42-25/h4-6,8-10,13-14,17-20,31H,7,11-12,15-16H2,1-3H3,(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-ET-1 from human ETB receptor expressed in CHO cell membranes after 2 hrs by scintillation counting				Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014
					More data for this Ligand-Target Pair
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50124446 (5-Isopropyl-pyridine-2-sulfonic acid {2-cyclopropy...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCCNS(=O)(=O)c1cccs1)C1CC1 Show InChI InChI=1S/C29H33N5O7S3/c1-19(2)21-13-14-24(30-18-21)43(35,36)34-28-26(41-23-9-5-4-8-22(23)39-3)29(33-27(32-28)20-11-12-20)40-16-7-15-31-44(37,38)25-10-6-17-42-25/h4-6,8-10,13-14,17-20,31H,7,11-12,15-16H2,1-3H3,(H,32,33,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-ET-1 from human ETA receptor expressed in CHO cell membranes after 2 hrs by scintillation counting				Bioorg Med Chem Lett 26: 3381-94 (2016) Article DOI: 10.1016/j.bmcl.2016.06.014
					More data for this Ligand-Target Pair