BindingDB PrimarySearch

BDBM50052024 CHEMBL787::montelukast

SMILES: CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1

InChI Key: InChIKey=UCHDWCPVSPXUMX-TZIWLTJVSA-N

Data: 3 KI 10 IC50 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50052024
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50052024 (CHEMBL787 \| montelukast) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
Vrije Universiteit Curated by ChEMBL					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50052024 (CHEMBL787 \| montelukast) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Menarini Curated by ChEMBL					Assay Description In vitro binding affinity towards Cysteinyl leukotriene D4 receptor by using [3H]-LTD4 binding assay in guinea pig lung membranes				J Med Chem 43: 392-400 (2000) BindingDB Entry DOI: 10.7270/Q2DJ5DVX
Laboratorios Menarini Curated by ChEMBL					More data for this Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor (Homo sapiens (Human))	BDBM50052024 (CHEMBL787 \| montelukast) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by heterologous competition binding assay				ACS Med Chem Lett 5: 326-30 (2014) Article DOI: 10.1021/ml400399f BindingDB Entry DOI: 10.7270/Q2445P0D
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50052024 (CHEMBL787 \| montelukast) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged LTC4S expressed in in Pichia pastoris X33 assessed as inhibition of EXC4 formation using EXA4 ...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555
Orexo AB Curated by ChEMBL					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor (Homo sapiens (Human))	BDBM50052024 (CHEMBL787 \| montelukast) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound were tested for inhibitory activity against Cysteinyl leukotriene D4 receptor				J Med Chem 39: 2629-54 (1996) Article DOI: 10.1021/jm960088k BindingDB Entry DOI: 10.7270/Q21J9BFT
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor (Homo sapiens (Human))	BDBM50052024 (CHEMBL787 \| montelukast) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	0.430	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))	BDBM50052024 (CHEMBL787 \| montelukast) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	0.640	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
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50052024 (CHEMBL787 \| montelukast) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	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
St. John's University Curated by ChEMBL					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor (Homo sapiens (Human))	BDBM50052024 (CHEMBL787 \| montelukast) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	72	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
Zhejiang University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50052024 (CHEMBL787 \| montelukast) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate upto 10 uM after 20 mins in presence of NADPH by LC-MS/MS analysis				J Med Chem 61: 224-250 (2018) Article DOI: 10.1021/acs.jmedchem.7b01300 BindingDB Entry DOI: 10.7270/Q289189X
					More data for this Ligand-Target Pair				3D Structure (crystal)
CYSLTR2 (Homo sapiens (Human))	BDBM50052024 (CHEMBL787 \| montelukast) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293T cells assessed as inhibition of LTC4-induced effect preincubated for 30 mins prior to LTC4 a...				J Med Chem 58: 6093-113 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7K27
Setsunan University Curated by ChEMBL					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor (Homo sapiens (Human))	BDBM50052024 (CHEMBL787 \| montelukast) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	0.780	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 1 (GUINEA PIG)	BDBM50052024 (CHEMBL787 \| montelukast) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	0.5	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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor (Homo sapiens (Human))	BDBM50052024 (CHEMBL787 \| montelukast) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1				J Med Chem 58: 6093-113 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7K27
Setsunan University Curated by ChEMBL					More data for this Ligand-Target Pair