BDBM50069574 3-Benzo[1,3]dioxol-5-yl-1-benzo[1,2,5]oxadiazol-5-ylmethyl-5-propoxy-1H-indole-2-carboxylic acid::CHEMBL69664

SMILES: CCCOc1ccc2n(Cc3ccc4nonc4c3)c(C(O)=O)c(-c3ccc4OCOc4c3)c2c1

InChI Key: InChIKey=PDDMKQWEOKOAQN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50069574   

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
EDNRA (RAT)	BDBM50069574 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,2,5]oxadiazol-5-...) Show SMILES CCCOc1ccc2n(Cc3ccc4nonc4c3)c(C(O)=O)c(-c3ccc4OCOc4c3)c2c1 Show InChI InChI=1S/C26H21N3O6/c1-2-9-32-17-5-7-21-18(12-17)24(16-4-8-22-23(11-16)34-14-33-22)25(26(30)31)29(21)13-15-3-6-19-20(10-15)28-35-27-19/h3-8,10-12H,2,9,13-14H2,1H3,(H,30,31)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50069574 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,2,5]oxadiazol-5-...) Show SMILES CCCOc1ccc2n(Cc3ccc4nonc4c3)c(C(O)=O)c(-c3ccc4OCOc4c3)c2c1 Show InChI InChI=1S/C26H21N3O6/c1-2-9-32-17-5-7-21-18(12-17)24(16-4-8-22-23(11-16)34-14-33-22)25(26(30)31)29(21)13-15-3-6-19-20(10-15)28-35-27-19/h3-8,10-12H,2,9,13-14H2,1H3,(H,30,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency of the compound at Endothelin A receptor was determined				J Med Chem 46: 3257-74 (2003) Article DOI: 10.1021/jm0300429 BindingDB Entry DOI: 10.7270/Q2W37VQ4
					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50069574 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,2,5]oxadiazol-5-...) Show SMILES CCCOc1ccc2n(Cc3ccc4nonc4c3)c(C(O)=O)c(-c3ccc4OCOc4c3)c2c1 Show InChI InChI=1S/C26H21N3O6/c1-2-9-32-17-5-7-21-18(12-17)24(16-4-8-22-23(11-16)34-14-33-22)25(26(30)31)29(21)13-15-3-6-19-20(10-15)28-35-27-19/h3-8,10-12H,2,9,13-14H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to porcine kidney inner medulla membrane Endothelin B receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair