BDBM50119663 5-Benzo[1,3]dioxol-5-yl-2-isobutyl-7-(4-methoxy-phenyl)-6,7-dihydro-5H-[1]pyrindine-6-carboxylic acid::CHEMBL102314

SMILES: COc1ccc(cc1)[C@H]1[C@@H]([C@H](c2ccc(CC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O

InChI Key: InChIKey=BFGUYLRYXCFHGG-CCDWMCETSA-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 = 50119663   

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))	BDBM50119663 (5-Benzo[1,3]dioxol-5-yl-2-isobutyl-7-(4-methoxy-ph...) Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](c2ccc(CC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C27H27NO5/c1-15(2)12-18-7-10-20-23(17-6-11-21-22(13-17)33-14-32-21)25(27(29)30)24(26(20)28-18)16-4-8-19(31-3)9-5-16/h4-11,13,15,23-25H,12,14H2,1-3H3,(H,29,30)/t23-,24-,25+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of the compound against I-labeled ET-1 binding to Endothelin A receptor				Bioorg Med Chem Lett 12: 3041-5 (2002) BindingDB Entry DOI: 10.7270/Q2KK9B3N
					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50119663 (5-Benzo[1,3]dioxol-5-yl-2-isobutyl-7-(4-methoxy-ph...) Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](c2ccc(CC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C27H27NO5/c1-15(2)12-18-7-10-20-23(17-6-11-21-22(13-17)33-14-32-21)25(27(29)30)24(26(20)28-18)16-4-8-19(31-3)9-5-16/h4-11,13,15,23-25H,12,14H2,1-3H3,(H,29,30)/t23-,24-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of the compound against I-labeled ET-1 binding to Endothelin B receptor				Bioorg Med Chem Lett 12: 3041-5 (2002) BindingDB Entry DOI: 10.7270/Q2KK9B3N
					More data for this Ligand-Target Pair