BDBM50141474 (5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-ethoxy-4-methoxy-phenyl)-2-isopropylamino-6,7-dihydro-5H-[1]pyrindine-6-carboxylic acid::CHEMBL38000

SMILES: CCOc1cc(OC)ccc1[C@H]1[C@@H]([C@H](c2ccc(NC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O

InChI Key: InChIKey=IGUNGSMXNZWMPG-KKUQBAQOSA-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 = 50141474   

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))	BDBM50141474 ((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-ethoxy-4-m...) Show SMILES CCOc1cc(OC)ccc1[C@H]1[C@@H]([C@H](c2ccc(NC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C28H30N2O6/c1-5-34-21-13-17(33-4)7-8-18(21)25-26(28(31)32)24(16-6-10-20-22(12-16)36-14-35-20)19-9-11-23(29-15(2)3)30-27(19)25/h6-13,15,24-26H,5,14H2,1-4H3,(H,29,30)(H,31,32)/t24-,25-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor				Bioorg Med Chem Lett 14: 1503-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.008 BindingDB Entry DOI: 10.7270/Q23R0SB4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50141474 ((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-ethoxy-4-m...) Show SMILES CCOc1cc(OC)ccc1[C@H]1[C@@H]([C@H](c2ccc(NC(C)C)nc12)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C28H30N2O6/c1-5-34-21-13-17(33-4)7-8-18(21)25-26(28(31)32)24(16-6-10-20-22(12-16)36-14-35-20)19-9-11-23(29-15(2)3)30-27(19)25/h6-13,15,24-26H,5,14H2,1-4H3,(H,29,30)(H,31,32)/t24-,25-,26+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor				Bioorg Med Chem Lett 14: 1503-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.008 BindingDB Entry DOI: 10.7270/Q23R0SB4
					More data for this Ligand-Target Pair