BDBM50387816 CHEMBL2058377

SMILES: CCCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)[N+]([O-])=O

InChI Key: InChIKey=PSQMXFUCTHDZBE-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 = 50387816   

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))	BDBM50387816 (CHEMBL2058377) Show SMILES CCCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)[N+]([O-])=O Show InChI InChI=1S/C29H29N5O5S/c1-4-5-10-28-30-25-16-15-23(34(35)36)17-26(25)33(28)18-21-11-13-22(14-12-21)24-8-6-7-9-27(24)40(37,38)32-29-19(2)20(3)31-39-29/h6-9,11-17,32H,4-5,10,18H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells				Bioorg Med Chem 20: 4661-7 (2012) Article DOI: 10.1016/j.bmc.2012.06.011 BindingDB Entry DOI: 10.7270/Q2G73FS6
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50387816 (CHEMBL2058377) Show SMILES CCCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)[N+]([O-])=O Show InChI InChI=1S/C29H29N5O5S/c1-4-5-10-28-30-25-16-15-23(34(35)36)17-26(25)33(28)18-21-11-13-22(14-12-21)24-8-6-7-9-27(24)40(37,38)32-29-19(2)20(3)31-39-29/h6-9,11-17,32H,4-5,10,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal cortex				Bioorg Med Chem 20: 4661-7 (2012) Article DOI: 10.1016/j.bmc.2012.06.011 BindingDB Entry DOI: 10.7270/Q2G73FS6
					More data for this Ligand-Target Pair