BDBM50193769 1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-fluoroethyl)piperidin-2-yl)propyl)-3-(3,5-diacetylphenyl)urea::CHEMBL220713

SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCF)cc(c1)C(C)=O

InChI Key InChIKey=VCYYAUWOLSKMPO-UHFFFAOYSA-N

Data  3 KI  1 IC50

  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 4 hits for monomerid = 50193769   

TargetC-C chemokine receptor type 3(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50193769(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-fluoroethyl)...)
Affinity DataIC50: 2.30nMAssay Description:Binding affinity to CCR3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50193769(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-fluoroethyl)...)
Affinity DataKi:  49nMAssay Description:Inhibition of 5HTTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50193769(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-fluoroethyl)...)
Affinity DataKi:  317nMAssay Description:Inhibition of NETMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50193769(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-fluoroethyl)...)
Affinity DataKi:  651nMAssay Description:Inhibition of DATMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed