BDBM50089354 CHEMBL3577945

SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C

InChI Key InChIKey=NUJWKQSEJDYCDB-GNRVTEMESA-N

Data  3 KI  8 IC50

PDB links: 1 PDB ID matches this monomer.

  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 11 hits for monomerid = 50089354   

TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50089354(CHEMBL3577945)
Affinity DataKi:  341nMAssay Description:Inhibition of muscarinic acetylcholine receptor M1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50089354(CHEMBL3577945)
Affinity DataKi:  865nMAssay Description:Inhibition of muscarinic acetylcholine receptor M4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50089354(CHEMBL3577945)
Affinity DataKi:  4.01E+3nMAssay Description:Inhibition of muscarinic acetylcholine receptor M2 (unknown origin)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
LigandPNGBDBM50089354(CHEMBL3577945)
Affinity DataIC50:  1.80E+3nMAssay Description:Inhibition of human ERG expressed in HEK293 cells assessed as reduction in peak tail current at holding potential of 80 mV to +20 mV by whole cell pa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50089354(CHEMBL3577945)
Affinity DataIC50:  2.40nMAssay Description:Antagonist activity at CCR5 (unknown origin) expressed in human HT1080 cells assessed as blockade of MIP1beta-binding to receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50089354(CHEMBL3577945)
Affinity DataIC50:  4.70nMAssay Description:Antagonist activity against CCR2 in whole blood (unknown origin) assessed as reduction in CD11b upregulationMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50089354(CHEMBL3577945)
Affinity DataIC50:  0.240nMAssay Description:Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degCMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50089354(CHEMBL3577945)
Affinity DataIC50:  2.40nMAssay Description:Inhibition of [125I]MCP1-beta binding to CCR5 in human HT1080 cell membranes incubated for 4 to 6 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50089354(CHEMBL3577945)
Affinity DataIC50:  0.700nMAssay Description:Displacement of [125I]MCP1 from CCR2 in human PBMC measured after 30 minsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50089354(CHEMBL3577945)
Affinity DataIC50:  4.30nMAssay Description:Antagonist activity against CCR5 in whole blood (unknown origin) assessed as reduction in CD11b upregulationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50089354(CHEMBL3577945)
Affinity DataIC50:  0.700nMT: 2°CAssay Description:Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperatureMore data for this Ligand-Target Pair