BDBM50187673 5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxylic Acid [4,6-dimethoxy-2-(3-morpholin-4-yl-propylamino)-pyrimidine-5-yl]-amide::CHEMBL210514

SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1

InChI Key InChIKey=IGTBNUVMBDYPQG-UHFFFAOYSA-N

Data  21 KI  7 IC50

  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 28 hits for monomerid = 50187673   

TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  0.400nMAssay Description:Binding affinity to human recombinant GnRH receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Rattus norvegicus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  0.400nMAssay Description:Binding affinity to rat pituitary GnRH receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  583nMAssay Description:Binding affinity to human 5HT2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  628nMAssay Description:Binding affinity to human A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  964nMAssay Description:Binding affinity to human 5HT2C receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlatelet-activating factor receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  1.06E+3nMAssay Description:Binding affinity to PAFMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  1.18E+3nMAssay Description:Binding affinity to human D3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H2 receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  1.22E+3nMAssay Description:Binding affinity to H2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  1.25E+3nMAssay Description:Binding affinity to human NK1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  1.40E+3nMAssay Description:Binding affinity to human mu opiate receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  1.43E+3nMAssay Description:Binding affinity to human 5HT transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  1.62E+3nMAssay Description:Binding affinity to human D1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  1.75E+3nMAssay Description:Binding affinity to human 5HT7 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  1.80E+3nMAssay Description:Binding affinity to human DA transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  1.96E+3nMAssay Description:Binding affinity to kappa opiate receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(4) dopamine receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  2.51E+3nMAssay Description:Binding affinity to human D4.4 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  3.68E+3nMAssay Description:Binding affinity to human M4 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Type-1 angiotensin II receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  3.71E+3nMAssay Description:Binding affinity to human AT1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  4.12E+3nMAssay Description:Binding affinity to human M1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  5.09E+3nMAssay Description:Binding affinity to human NE transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataKi:  5.24E+3nMAssay Description:Binding affinity to verapamil site of N type calcium channelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataIC50:  3.30nMAssay Description:Antagonist activity at human recombinant GnRH receptor assessed as inhibition of GnRH-stimulated inositol phosphate accumulationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGonadotropin-releasing hormone receptor(Rattus norvegicus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50187673(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Affinity DataIC50:  8.80nMAssay Description:Antagonist activity at rat pitutary GnRH receptor assessed as inhibition of GnRH-stimulated inositol phosphate accumulationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed