BDBM50009073 4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide::CHEMBL603::ZAFIRLUKAST::cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate::cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate

SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C

InChI Key InChIKey=YEEZWCHGZNKEEK-UHFFFAOYSA-N

Data  16 KI  33 IC50  7 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 56 hits for monomerid = 50009073   

TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
University of California Irvine

Curated by PDSP Ki Database
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataKi:  0.260nMMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(GUINEA PIG)
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataKi:  0.300nMAssay Description:Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligandMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(GUINEA PIG)
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataKi:  0.300nMAssay Description:Compound was evaluated for its ability to displace [3H]-LTD4 from Cysteinyl leukotriene D4 receptor in guinea pig lung membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(GUINEA PIG)
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(GUINEA PIG)
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]LTD4 from cysteinyl leukotriene receptor 1 in Hartley guinea pig parenchymal membrane after 30 mins by liquid scintillation count...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(GUINEA PIG)
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataKi:  0.340nMAssay Description:Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(GUINEA PIG)
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataKi:  2nMAssay Description:Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataKi:  2nMAssay Description:Ability to antagonize LTD4 receptors isolated from guinea pig lung membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(GUINEA PIG)
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataKi:  2nMAssay Description:Compound was evaluated in vitro for the binding of cysLT1 receptor to guinea pig lung membranes.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(GUINEA PIG)
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataKi:  2.30nMAssay Description:Displacement of [3H]-leukotriene D4 (LTD4) from receptor in guinea pig lung membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 2(Homo sapiens (Human))
University of California Irvine

Curated by PDSP Ki Database
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
AstraZeneca R&D

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataKi:  2.50E+3nMAssay Description:Binding affinity towards cytochrome P450 2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetLeukotriene B4 receptor 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataKi:  7.12E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLeukotriene B4 receptor 2(Homo sapiens (Human))
University of Virginia

Curated by PDSP Ki Database
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataKi:  7.40E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLeukotriene B4 receptor 2(Homo sapiens (Human))
University of Virginia

Curated by PDSP Ki Database
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlatelet-activating factor receptor(Cavia porcellus)
TBA

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataKi: >5.00E+4nMAssay Description:Displacement of [3H]-ligand from platelet activating factor (PAF) receptor in rabbit plateletsMore data for this Ligand-Target Pair
In DepthDetails Article
TargetCysteinyl leukotriene receptor 2(Homo sapiens (Human))
University of California Irvine

Curated by PDSP Ki Database
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50:  5.80E+4nMAssay Description:Antagonist activity against CysLT2 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization pr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1/M2/M3/M4/M5(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory concentration against muscarinic receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory concentration against Beta adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 2A/2B/2C(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory concentration against 5-hydroxytryptamine 2 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetAlpha-2A/Alpha-2B/Alpha-2C adrenergic receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory concentration against Alpha-2 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory concentration against Alpha-1 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetMultidrug and toxin extrusion protein 2(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50:  7.60E+3nMAssay Description:Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 2(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50:  9.70E+3nMAssay Description:Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50:  5nMAssay Description:In vitro for antagonistic activity against LTD4 receptor in guinea pig ileumMore data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50:  1.11E+4nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell plasma membrane vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
University of California Irvine

Curated by PDSP Ki Database
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50:  1.80nMAssay Description:Inhibition of cysteinyl leukotriene receptor 1 (unknown origin) expressed in HEK293 cell membranes after 45 mins by scintillation spectrometryMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataEC50:  3.06E+4nMAssay Description:Activation of human PXR expressed in DPX2 cells assessed as CYP3A4 induction after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50:  1.21E+4nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50:  1.11E+4nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50:  5.88E+4nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by sp...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataEC50:  2.44E+3nMAssay Description:Partial agonist activity at human PPARgamma LBD expressed HEK293T cells after 12 to 14 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium/bile acid cotransporter(Homo sapiens (Human))
Southwest Jiaotong University

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50:  6.50E+3nMAssay Description:Inhibition of HA-tagged human NTCP expressed in human U2OS cells assessed as reduction in [14C]taurocholate uptake preincubated for 10 mins followed ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
University of California Irvine

Curated by PDSP Ki Database
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50:  0.260nMAssay Description:Antagonist activity at human CysLT1 receptorMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 2(Homo sapiens (Human))
University of California Irvine

Curated by PDSP Ki Database
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50: >1.00E+3nMAssay Description:Antagonist activity at human CysLT2 receptorMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium/bile acid cotransporter(Homo sapiens (Human))
Southwest Jiaotong University

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of preS1-peptide binding to human HA-tagged NTCP in U2OS expresseing NTCP in incubated for 24 hrs using Myrcludex B as substrate by compet...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
University of California Irvine

Curated by PDSP Ki Database
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50:  14nMAssay Description:Antagonist activity against CysLT1 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization pr...More data for this Ligand-Target Pair
TargetSodium/bile acid cotransporter(Homo sapiens (Human))
Southwest Jiaotong University

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50:  6.50E+3nMAssay Description:Inhibition of human NTCP mediated TCA uptake in U2OS expresseing HA-tagged NTCP cells preincubated for 10 mins followed by substrate addition and mea...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory concentration against Adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetHistamine H1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory concentration against H1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetD(2) dopamine receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory concentration against Dopamine receptor D2More data for this Ligand-Target Pair
In DepthDetails Article
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataEC50:  1.41E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataEC50:  9.50E+3nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataEC50:  710nMAssay Description:Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Rattus norvegicus)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataEC50:  5.84E+4nMAssay Description:Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
University of California Irvine

Curated by PDSP Ki Database
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50:  1.90nMAssay Description:Antagonist activity at human CysLT1More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 2(Homo sapiens (Human))
University of California Irvine

Curated by PDSP Ki Database
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Affinity DataIC50:  7.40E+3nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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