BDBM50206243 CHEMBL3918431

SMILES C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2

InChI Key InChIKey=ZDTPXUKLGIDOCS-SFHVURJKSA-N

Data  3 KI  23 IC50  15 EC50

  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 41 hits for monomerid = 50206243   

TargetNeuronal acetylcholine receptor subunit alpha-7(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataKi:  1.30nMAssay Description:Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in HEK293 cell membranes incubated for 2 hrs and measured by gamma countin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataKi:  4.40nMAssay Description:Displacement of [125I]Tyr54-alpha-bungarotoxin from rat alpha7 nAChR expressed in HEK293 cell membranes co-expressing human RIC3 measured after 2 hrs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataKi:  4.80nMAssay Description:Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR expressed in HEK293 cell membranes incubated for 2 hrs and measured by gamma counting ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of human CYP2B6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of human CYP2C8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at rat alpha4beta2 nAChR expressed in HEK293 cells for 2 mins by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholine receptor subunit alpha/beta/delta/epsilon(Rattus norvegicus)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at rat alpha1beta1deltaepsilon nAChR expressed in HEK293 cells for 2 mins by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50:  3.22E+3nMAssay Description:Inhibition of human ERG by patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of human CYP3A4 using BFC as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of human CYP3A4 using BZR as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Rattus norvegicus (Rat))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells for 2 mins by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataEC50:  9.30nMAssay Description:Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 measured for 2 mins by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataEC50:  140nMAssay Description:Partial agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 at holding potential of -90 mV by whole-cell voltage ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at alpha3beta4 nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at alpha4beta2 nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholine receptor subunit alpha/beta/delta/epsilon(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at alpha1beta1deltaepsilon nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50:  3.20E+3nMAssay Description:Inhibition of human ERG by patch clamp electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50:  480nMAssay Description:Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataEC50:  9.30nMAssay Description:Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataEC50:  240nMAssay Description:Agonist activity at human alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 assessed as area under current curve at holding potential o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of recombinant human CYP3A4 using fluorogenic substrate BFC preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of recombinant human CYP3A4 using fluorogenic substrate BZR preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50:  3.20E+3nMAssay Description:Inhibition of human ERG potassium channel by patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of recombinant human CYP2D6 using fluorogenic substrate preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH reg...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of recombinant human CYP2C9 using fluorogenic substrate preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH reg...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of recombinant human CYP2C19 using fluorogenic substrate preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH re...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholine receptor subunit alpha/beta/delta/epsilon(Rattus norvegicus)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at rat alpha1beta1delta1epsilon nAChR expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4 AM dye based FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of recombinant human CYP2B6 using fluorogenic substrate preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH reg...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Rattus norvegicus (Rat))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4 AM dye based FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at rat alpha4beta2 nAChR expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4 AM dye based FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of recombinant human CYP2C8 using fluorogenic substrate preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH reg...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50:  480nMAssay Description:Antagonist activity at human 5-HT3A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of recombinant human CYP1A2 using fluorogenic substrate preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH reg...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataEC50:  9.30nMAssay Description:Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4 AM dye based FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataEC50:  140nMAssay Description:Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50:  480nMAssay Description:Antagonist activity at 5-HT3A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50206243(CHEMBL3918431)
Affinity DataIC50:  480nMAssay Description:Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed