BDBM50588465 CHEMBL5187736

SMILES CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCNC(=O)CCCCNC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)cc3)nc2n(CCC)c1=O

InChI Key InChIKey=LYAYADHVKSFZEM-UHFFFAOYSA-N

Data  7 Kd

  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 7 hits for monomerid = 50588465   

TargetAdenosine receptor A1(Human)
University of Bern

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50588465BDBM50588465(CHEMBL5187736)
Affinity DataKd:  18nMAssay Description:Binding affinity to NanoLuc-fused human adenosine A1 receptor assessed as dissociation constant by saturation binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetAdenosine receptor A1(Rat)
University of Bern

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50588465BDBM50588465(CHEMBL5187736)
Affinity DataKd:  33nMAssay Description:Binding affinity to NanoLuc-fused rat adenosine A1 receptor assessed as dissociation constant by saturation binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetAdenosine receptor A1(Human)
University of Bern

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50588465BDBM50588465(CHEMBL5187736)
Affinity DataKd:  71nMAssay Description:Binding affinity to A1R S267 7.32A mutant (unknown origin) in by saturation NanoBRET binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetAdenosine receptor A1(Human)
University of Bern

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50588465BDBM50588465(CHEMBL5187736)
Affinity DataKd:  76nMAssay Description:Binding affinity to wild type A1R (unknown origin) by saturation NanoBRET binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetAdenosine receptor A1(Human)
University of Bern

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50588465BDBM50588465(CHEMBL5187736)
Affinity DataKd:  116nMAssay Description:Binding affinity to A1R E172 5.30A mutant (unknown origin) by saturation NanoBRET binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetAdenosine receptor A1(Human)
University of Bern

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50588465BDBM50588465(CHEMBL5187736)
Affinity DataKd:  145nMAssay Description:Binding affinity to A1R H251 6.52A mutant (unknown origin) by saturation NanoBRET binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetAdenosine receptor A1(Human)
University of Bern

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50588465BDBM50588465(CHEMBL5187736)
Affinity DataKd:  158nMAssay Description:Binding affinity to A1R L250 6.51A mutant (unknown origin) by saturation NanoBRET binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed