BDBM50235306 CHEMBL4084621

SMILES C1N=C(Nc2cc(ncn2)-n2ccnc2)O[C@]11CN2CCC1CC2

InChI Key InChIKey=RLXBHTUZCPORKT-INIZCTEOSA-N

Data  2 KI  10 IC50  6 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50235306   

TargetNeuronal acetylcholine receptor subunit alpha-7(Rat)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50235306(CHEMBL4084621)
Affinity DataKi:  3.30nMAssay 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

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

Curated by ChEMBL
LigandPNGBDBM50235306(CHEMBL4084621)
Affinity DataKi:  8.10nMAssay 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

TargetCytochrome P450 2C8(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50235306(CHEMBL4084621)
Affinity DataIC50: >3.00E+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

TargetCytochrome P450 2D6(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50235306(CHEMBL4084621)
Affinity DataIC50: >3.00E+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

TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Rat)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50235306(CHEMBL4084621)
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

TargetAcetylcholine receptor subunit alpha/beta/delta/epsilon(Rat)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50235306(CHEMBL4084621)
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 3A4(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50235306(CHEMBL4084621)
Affinity DataIC50: >3.00E+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

TargetCytochrome P450 2B6(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50235306(CHEMBL4084621)
Affinity DataIC50: >3.00E+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

TargetCytochrome P450 1A2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50235306(CHEMBL4084621)
Affinity DataIC50: >3.00E+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(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50235306(CHEMBL4084621)
Affinity DataEC50:  300nMAssay 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(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50235306(CHEMBL4084621)
Affinity DataIC50: >3.00E+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

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50235306(CHEMBL4084621)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human ERG potassium channel by patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetNeuronal acetylcholine receptor subunit alpha-7(Rat)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50235306(CHEMBL4084621)
Affinity DataEC50:  23nMAssay Description:Inhibitory constant against human placenta 17-beta-hydroxysteroid dehydrogenase type 2 (17-beta-HSD type 2)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C19(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50235306(CHEMBL4084621)
Affinity DataIC50: >3.00E+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

Target5-hydroxytryptamine receptor 3A(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50235306(CHEMBL4084621)
Affinity DataIC50:  8.10E+3nMAssay Description:Antagonist activity at human 5-HT3A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C9(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50235306(CHEMBL4084621)
Affinity DataIC50: >3.00E+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

TargetNeuronal acetylcholine receptor subunit alpha-7(Rat)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50235306(CHEMBL4084621)
Affinity DataEC50:  100nMAssay Description:Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 assessed as area under current curve at holding potential of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rat)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50235306(CHEMBL4084621)
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