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SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1

InChI Key InChIKey=HUQJRYMLJBBEDO-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 22566   

TargetHistamine H4 receptor(Rattus norvegicus (rat))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM22566(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)copy SMILEScopy InChI
Affinity DataKi:  2.60nM ΔG°:  -11.7kcal/molepH: 7.5 T: 2°CAssay Description:The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VX0DTDPubMed
TargetHistamine H4 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM22566(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)copy SMILEScopy InChI
Affinity DataKi:  4.10nM ΔG°:  -11.4kcal/molepH: 7.5 T: 2°CAssay Description:The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VX0DTDPubMed
TargetHistamine H4 receptor(Mus musculus (mouse))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM22566(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)copy SMILEScopy InChI
Affinity DataKi:  4.60nM ΔG°:  -11.4kcal/molepH: 7.5 T: 2°CAssay Description:The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VX0DTDPubMed
TargetHistamine H2 receptor(Cavia porcellus (domestic guinea pig))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM22566(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+3nM ΔG°: >-8.18kcal/molepH: 7.5 T: 2°CAssay Description:The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VX0DTDPubMed
TargetHistamine H1 receptor(Cavia porcellus (domestic guinea pig))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM22566(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+3nM ΔG°: >-8.18kcal/molepH: 7.5 T: 2°CAssay Description:The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VX0DTDPubMed
TargetHistamine H3 receptor(Rattus norvegicus (rat))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM22566(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)copy SMILEScopy InChI
Affinity DataKi:  4.70E+3nM ΔG°:  -7.26kcal/molepH: 7.5 T: 2°CAssay Description:The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VX0DTDPubMed
TargetHistamine H3 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM22566(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)copy SMILEScopy InChI
Affinity DataKi:  5.13E+3nM ΔG°:  -7.21kcal/molepH: 7.5 T: 2°CAssay Description:The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VX0DTDPubMed
TargetHistamine H1 receptor(Mus musculus (mouse))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM22566(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nM ΔG°: >-6.82kcal/molepH: 7.5 T: 2°CAssay Description:The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VX0DTDPubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM22566(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nM ΔG°: >-6.82kcal/molepH: 7.5 T: 2°CAssay Description:The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VX0DTDPubMed