BDBM50052019 CHEMBL89768::L-660771::MK-571::Sodium; 3-[{3-[(E)-2-(7-chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionate::Sodium;3-[{3-[(E)-2-(7-chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionate::sodium (E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(3-(dimethylamino)-3-oxopropylthio)methylthio)propanoate
SMILES: CN(C)C(=O)CCSC(SCCC([O-])=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
InChI Key: InChIKey=AXUZQJFHDNNPFG-UXBLZVDNSA-M
Data: 5 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 1 (GUINEA PIG) | BDBM50052019 (CHEMBL89768 | L-660771 | MK-571 | Sodium; 3-[{3-[(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Concentration required for inhibition of binding of [3H]-LTD4 to guinea pig lung membranes | Bioorg Med Chem Lett 5: 283-288 (1995) Article DOI: 10.1016/0960-894X(95)00023-M BindingDB Entry DOI: 10.7270/Q2KD1XW7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM50052019 (CHEMBL89768 | L-660771 | MK-571 | Sodium; 3-[{3-[(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg Curated by ChEMBL | Assay Description Inhibition of human MRP1 transfected in MDCK2 cells assessed as inhibition of calcein-AM efflux | Eur J Med Chem 109: 124-33 (2016) BindingDB Entry DOI: 10.7270/Q2DV1MQ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cysteinyl leukotriene receptor 1 (GUINEA PIG) | BDBM50052019 (CHEMBL89768 | L-660771 | MK-571 | Sodium; 3-[{3-[(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Concentration required for inhibition of binding of [3H]-LTD4 to guinea pig lung membranes | Bioorg Med Chem Lett 5: 283-288 (1995) Article DOI: 10.1016/0960-894X(95)00023-M BindingDB Entry DOI: 10.7270/Q2KD1XW7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 2 (MRP2) (Homo sapiens (Human)) | BDBM50052019 (CHEMBL89768 | L-660771 | MK-571 | Sodium; 3-[{3-[(...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of human MRP2 expressed in dog MDCK2 cells | Bioorg Med Chem Lett 18: 4761-3 (2008) Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM50052019 (CHEMBL89768 | L-660771 | MK-571 | Sodium; 3-[{3-[(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of human MRP1 in human 2008 cells | Bioorg Med Chem Lett 18: 4761-3 (2008) Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB | |||||||||||
More data for this Ligand-Target Pair |