BDBM50395624 CHEMBL2165340

SMILES: Brc1ccc(cc1)-c1c(NS(=O)(=O)NC2CC2)ncnc1OCCOc1ncc(Br)cn1

InChI Key: InChIKey=LKOLDYBWXOYQMQ-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 = 50395624   

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))	BDBM50395624 (CHEMBL2165340) Show SMILES Brc1ccc(cc1)-c1c(NS(=O)(=O)NC2CC2)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C19H18Br2N6O4S/c20-13-3-1-12(2-4-13)16-17(27-32(28,29)26-15-5-6-15)24-11-25-18(16)30-7-8-31-19-22-9-14(21)10-23-19/h1-4,9-11,15,26H,5-8H2,(H,24,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Displacement of [I125]ET1 from recombinant ETB receptor expressed in CHO cells after 2 hrs by TopCount analysis				J Med Chem 55: 7849-61 (2012) Article DOI: 10.1021/jm3009103 BindingDB Entry DOI: 10.7270/Q21C1XZT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50395624 (CHEMBL2165340) Show SMILES Brc1ccc(cc1)-c1c(NS(=O)(=O)NC2CC2)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C19H18Br2N6O4S/c20-13-3-1-12(2-4-13)16-17(27-32(28,29)26-15-5-6-15)24-11-25-18(16)30-7-8-31-19-22-9-14(21)10-23-19/h1-4,9-11,15,26H,5-8H2,(H,24,25,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Displacement of [I125]ET1 from recombinant ETA receptor expressed in CHO cells after 2 hrs by TopCount analysis				J Med Chem 55: 7849-61 (2012) Article DOI: 10.1021/jm3009103 BindingDB Entry DOI: 10.7270/Q21C1XZT
					More data for this Ligand-Target Pair