BDBM50249532 CHEMBL4061110

SMILES: CCCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)-c3nnn[nH]3)c(=O)c2c1

InChI Key: InChIKey=SCOBRKBPUKEATJ-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 = 50249532   

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 receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50249532 (CHEMBL4061110) Show SMILES CCCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)-c3nnn[nH]3)c(=O)c2c1 Show InChI InChI=1S/C32H31N5O6/c1-3-5-11-41-23-9-10-26-24(16-23)30(38)25(13-19-7-6-8-21(12-19)31-33-35-36-34-31)29(32(39)40)37(26)17-22-15-28-27(42-18-43-28)14-20(22)4-2/h6-10,12,14-16H,3-5,11,13,17-18H2,1-2H3,(H,39,40)(H,33,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	618	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50249532 (CHEMBL4061110) Show SMILES CCCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)-c3nnn[nH]3)c(=O)c2c1 Show InChI InChI=1S/C32H31N5O6/c1-3-5-11-41-23-9-10-26-24(16-23)30(38)25(13-19-7-6-8-21(12-19)31-33-35-36-34-31)29(32(39)40)37(26)17-22-15-28-27(42-18-43-28)14-20(22)4-2/h6-10,12,14-16H,3-5,11,13,17-18H2,1-2H3,(H,39,40)(H,33,34,35,36)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay				Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21
					More data for this Ligand-Target Pair