BDBM50597191 CHEMBL5195631

SMILES Cn1nc(-c2ccccc2)c2cnnc(NCc3ccccc3)c12

InChI Key InChIKey=NITRYQLITNTCTJ-UHFFFAOYSA-N

Data  6 KI  2 Kd  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50597191   

TargetAdenosine receptor A1(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50597191(CHEMBL5195631)
Affinity DataEC50:  71nMAssay Description:Antagonist activity at human wild type A1R expressed in CHO-K1 cells assessed as inhibition of forskolin/ NECA-stimulated cAMP accumulation by measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAdenosine receptor A3(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50597191(CHEMBL5195631)
Affinity DataEC50:  16nMAssay Description:Antagonist activity at human wild type A3R expressed in Flp-In-CHO cells assessed as inhibition of forskolin/ NECA-stimulated cAMP accumulation by me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAdenosine receptor A3(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50597191(CHEMBL5195631)
Affinity DataKd:  55nMAssay Description:Binding affinity to NLuc human A3 receptor expressed in HEK293 cells assessed as dissociation constant by NanoBRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAdenosine receptor A1(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50597191(CHEMBL5195631)
Affinity DataKd:  55nMAssay Description:Binding affinity to NLuc human A1 receptor expressed in HEK293 cells assessed as dissociation constant by NanoBRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAdenosine receptor A1(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50597191(CHEMBL5195631)
Affinity DataKi:  11nMAssay Description:Displacement of CA200645 from NLuc human A1 receptor expressed in HEK293 cells assessed as inhibition constant by NanoBRET binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAdenosine receptor A3(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50597191(CHEMBL5195631)
Affinity DataKi:  13nMAssay Description:Displacement of CA200645 from NLuc human A3 receptor expressed in HEK293 cells assessed as inhibition constant by NanoBRET binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAdenosine receptor A1(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50597191(CHEMBL5195631)
Affinity DataKi:  21nMAssay Description:Binding affinity to wild type human A1R in presence of CA200645 by saturation NanoBRET binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAdenosine receptor A1(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50597191(CHEMBL5195631)
Affinity DataKi:  24nMAssay Description:Binding affinity to human A1R H251 6.52A mutant in presence of CA200645 by saturation NanoBRET binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAdenosine receptor A1(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50597191(CHEMBL5195631)
Affinity DataKi:  27nMAssay Description:Binding affinity to human A1R L250 6.51A mutant in presence of CA200645 by saturation NanoBRET binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAdenosine receptor A1(Human)
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50597191(CHEMBL5195631)
Affinity DataKi:  46nMAssay Description:Binding affinity to human A1R E172 5.30A mutant in presence of CA200645 by saturation NanoBRET binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed