BDBM50141473 (5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-hydroxymethyl-4-methoxy-phenyl)-2-isopropylamino-6,7-dihydro-5H-[1]pyrindine-6-carboxylic acid::CHEMBL287711

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

InChI Key: InChIKey=FVNKNOUQLKAPJI-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 = 50141473   

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))	BDBM50141473 ((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-hydroxymet...) Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CO)c1 Show InChI InChI=1S/C27H28N2O6/c1-14(2)28-22-9-7-19-23(15-4-8-20-21(11-15)35-13-34-20)25(27(31)32)24(26(19)29-22)18-6-5-17(33-3)10-16(18)12-30/h4-11,14,23-25,30H,12-13H2,1-3H3,(H,28,29)(H,31,32)/t23-,24-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	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))	BDBM50141473 ((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-hydroxymet...) Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CO)c1 Show InChI InChI=1S/C27H28N2O6/c1-14(2)28-22-9-7-19-23(15-4-8-20-21(11-15)35-13-34-20)25(27(31)32)24(26(19)29-22)18-6-5-17(33-3)10-16(18)12-30/h4-11,14,23-25,30H,12-13H2,1-3H3,(H,28,29)(H,31,32)/t23-,24-,25+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0620	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