BDBM50013920 3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid::3-[{3-[2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid::CHEMBL280481::MK-679::VERLUKAST
SMILES: CN(C)C(=O)CCS[C@H](SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
InChI Key: InChIKey=AXUZQJFHDNNPFG-LHAVAQOQSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Solute carrier organic anion transporter family member 2B1 (Homo sapiens (Human)) | BDBM50013920 (3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation coun... | J Med Chem 55: 4740-63 (2012) Article DOI: 10.1021/jm300212s BindingDB Entry DOI: 10.7270/Q2765GFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 1B1 (OATP1B1) (Homo sapiens (Human)) | BDBM50013920 (3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation counting | J Med Chem 55: 4740-63 (2012) Article DOI: 10.1021/jm300212s BindingDB Entry DOI: 10.7270/Q2765GFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 1B3 (OATP1B3) (Homo sapiens (Human)) | BDBM50013920 (3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio... | J Med Chem 55: 4740-63 (2012) Article DOI: 10.1021/jm300212s BindingDB Entry DOI: 10.7270/Q2765GFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cysteinyl leukotriene receptor 1 (GUINEA PIG) | BDBM50013920 (3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University Curated by ChEMBL | Assay Description Displacement of [3H]LTD4 from LTD4 receptor in guinea pig lung membrane | J Med Chem 59: 8712-8756 (2016) Article DOI: 10.1021/acs.jmedchem.6b00472 BindingDB Entry DOI: 10.7270/Q29G5PR8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cysteinyl leukotriene receptor 1 (GUINEA PIG) | BDBM50013920 (3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung membrane | J Med Chem 33: 2841-5 (1990) BindingDB Entry DOI: 10.7270/Q25M64QQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 2B1 (Homo sapiens (Human)) | BDBM50013920 (3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation coun... | J Med Chem 55: 4740-63 (2012) Article DOI: 10.1021/jm300212s BindingDB Entry DOI: 10.7270/Q2765GFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cysteinyl leukotriene receptor (Homo sapiens (Human)) | BDBM50013920 (3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung membrane | J Med Chem 33: 2841-5 (1990) BindingDB Entry DOI: 10.7270/Q25M64QQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM50013920 (3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL | Assay Description Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay | J Med Chem 55: 424-36 (2012) Article DOI: 10.1021/jm201305y BindingDB Entry DOI: 10.7270/Q2HD7W35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cysteinyl leukotriene receptor 1 (GUINEA PIG) | BDBM50013920 (3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article | n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of [3H]-LTD4 binding on guinea-pig lung membranes | Bioorg Med Chem Lett 5: 1615-1620 (1995) Article DOI: 10.1016/0960-894X(95)00265-U BindingDB Entry DOI: 10.7270/Q2NV9J6V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 1B1 (OATP1B1) (Homo sapiens (Human)) | BDBM50013920 (3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation counting | J Med Chem 55: 4740-63 (2012) Article DOI: 10.1021/jm300212s BindingDB Entry DOI: 10.7270/Q2765GFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 2 (MRP2) (Homo sapiens (Human)) | BDBM50013920 (3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of human MRP2-mediated estradiol-17beta-glucuronide transport in Sf9 cells inverted membrane vesicles | J Med Chem 51: 3275-87 (2008) Article DOI: 10.1021/jm7015683 BindingDB Entry DOI: 10.7270/Q2HD7VDS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 2 (MRP2) (Homo sapiens (Human)) | BDBM50013920 (3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg Curated by ChEMBL | Assay Description Inhibition of ABCC2 overexpressed in MDCK cells at 100 uM by flow cytometric-based chloromethylfluorescein-diacetate accumulation assay | J Med Chem 52: 1190-7 (2009) Article DOI: 10.1021/jm8013822 BindingDB Entry DOI: 10.7270/Q2VH5PQ4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 1B3 (OATP1B3) (Homo sapiens (Human)) | BDBM50013920 (3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio... | J Med Chem 55: 4740-63 (2012) Article DOI: 10.1021/jm300212s BindingDB Entry DOI: 10.7270/Q2765GFC | |||||||||||
More data for this Ligand-Target Pair |