BDBM50141464 (5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-isobutoxy-4-methoxy-phenyl)-2-isopropylamino-6,7-dihydro-5H-[1]pyrindine-6-carboxylic acid::CHEMBL37973

SMILES: COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(OCC(C)C)c1

InChI Key: InChIKey=JDIFCWUHBJXZLK-HZFUHODCSA-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 = 50141464   

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))	BDBM50141464 ((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-isobutoxy-...) Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(OCC(C)C)c1 Show InChI InChI=1S/C30H34N2O6/c1-16(2)14-36-23-13-19(35-5)7-8-20(23)27-28(30(33)34)26(18-6-10-22-24(12-18)38-15-37-22)21-9-11-25(31-17(3)4)32-29(21)27/h6-13,16-17,26-28H,14-15H2,1-5H3,(H,31,32)(H,33,34)/t26-,27-,28+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.860	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
EDNRB (Homo sapiens (Human))	BDBM50141464 ((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-isobutoxy-...) Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(OCC(C)C)c1 Show InChI InChI=1S/C30H34N2O6/c1-16(2)14-36-23-13-19(35-5)7-8-20(23)27-28(30(33)34)26(18-6-10-22-24(12-18)38-15-37-22)21-9-11-25(31-17(3)4)32-29(21)27/h6-13,16-17,26-28H,14-15H2,1-5H3,(H,31,32)(H,33,34)/t26-,27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	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