BDBM41611 4-chloranyl-6-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine::4-chloro-6-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-pyrimidinamine::4-chloro-6-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine::4-chloro-6-{4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidino}-2-pyrimidinamine::MLS000327676::SMR000180723::[4-chloro-6-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidino]pyrimidin-2-yl]amine::cid_11958855

SMILES Nc1nc(Cl)cc(n1)N1CCC(CC1)c1cc(n[nH]1)-c1ccc(Cl)cc1

InChI Key InChIKey=INVJQALBOFMPJQ-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 41611   

TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41611(MLS000327676 | 4-chloro-6-[4-[3-(4-chlorophenyl)-1...)
Affinity DataIC50: 1.49E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41611(MLS000327676 | 4-chloro-6-[4-[3-(4-chlorophenyl)-1...)
Affinity DataIC50: 7.01E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/12/2011
Entry Details
PCBioAssay
TargetMitochondrial import inner membrane translocase subunit TIM10(Baker's yeast)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41611(MLS000327676 | 4-chloro-6-[4-[3-(4-chlorophenyl)-1...)
Affinity DataIC50: 1.78E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay