BDBM50069373 2-(1-(((1R)-3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(3-((E)-2-(8-methyl-5,6,7,8-tetrahydroquinolin-2-yl)vinyl)phenyl)propylthio)methyl)cyclopropyl)acetic acid::CHEMBL342705::[1-((R)-3-[2-(1-Hydroxy-1-methyl-ethyl)-phenyl]-1-{3-[(E)-2-(8-methyl-5,6,7,8-tetrahydro-quinolin-2-yl)-vinyl]-phenyl}-propylsulfanylmethyl)-cyclopropyl]-acetic acid
SMILES: CC1CCCc2ccc(\C=C\c3cccc(c3)[C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(O)=O)CC3)nc12
InChI Key: InChIKey=DUCNKECWDRIBHL-YCYFMJLASA-N
Data: 4 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cysteinyl leukotriene receptor (Homo sapiens (Human)) | BDBM50069373 (2-(1-(((1R)-3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research Curated by ChEMBL | Assay Description In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of DMSO differentiated human U937 cell membranes | Bioorg Med Chem Lett 8: 453-8 (1999) BindingDB Entry DOI: 10.7270/Q2M907SH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cysteinyl leukotriene receptor (Homo sapiens (Human)) | BDBM50069373 (2-(1-(((1R)-3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University Curated by ChEMBL | Assay Description Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L... | Bioorg Med Chem 18: 5519-27 (2010) Article DOI: 10.1016/j.bmc.2010.06.047 BindingDB Entry DOI: 10.7270/Q26D5TZ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cysteinyl leukotriene receptor (Homo sapiens (Human)) | BDBM50069373 (2-(1-(((1R)-3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research Curated by ChEMBL | Assay Description In vitro inhibition of [3H]LTD4 binding to LTD4 receptor of guinea pig lung membrane with human serum albumin (HSA). | Bioorg Med Chem Lett 8: 453-8 (1999) BindingDB Entry DOI: 10.7270/Q2M907SH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cysteinyl leukotriene receptor (Homo sapiens (Human)) | BDBM50069373 (2-(1-(((1R)-3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Center for Therapeutic Research Curated by ChEMBL | Assay Description In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA). | Bioorg Med Chem Lett 8: 453-8 (1999) BindingDB Entry DOI: 10.7270/Q2M907SH | |||||||||||
More data for this Ligand-Target Pair |