BDBM26226 (12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),3,5-tetraen-4-amine::A-987306

SMILES [H][C@]12CCCC[C@@]1([H])C1=C(CCc3c(nc(N)nc13)N1CCNCC1)O2

InChI Key InChIKey=DJKJVWJQAVGLHJ-YPMHNXCESA-N

Data  7 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 26226   

TargetHistamine H4 receptor(Rattus norvegicus (rat))
Abbott Laboratories

LigandPNGBDBM26226((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...)
Show SMILES Nc1nc(N2CCNCC2)c2CCC3=C([C@@H]4CCCC[C@@H]4O3)c2n1
Show InChI InChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m1/s1
Affinity DataKi:  3.40nM ΔG°:  -11.5kcal/molepH: 7.4 T: 2°CAssay Description:Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...More data for this Ligand-Target Pair
TargetHistamine H4 receptor(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM26226((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...)
Show SMILES Nc1nc(N2CCNCC2)c2CCC3=C([C@@H]4CCCC[C@@H]4O3)c2n1
Show InChI InChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m1/s1
Affinity DataKi:  5.80nM ΔG°:  -11.2kcal/molepH: 7.4 T: 2°CAssay Description:Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...More data for this Ligand-Target Pair
TargetHistamine H3 receptor(Rattus norvegicus (rat))
Abbott Laboratories

LigandPNGBDBM26226((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...)
Show SMILES Nc1nc(N2CCNCC2)c2CCC3=C([C@@H]4CCCC[C@@H]4O3)c2n1
Show InChI InChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m1/s1
Affinity DataKi:  13.5nM ΔG°:  -10.7kcal/molepH: 7.4 T: 2°CAssay Description:Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...More data for this Ligand-Target Pair
TargetHistamine H4 receptor(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM26226((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...)
Show SMILES Nc1nc(N2CCNCC2)c2CCC3=C([C@@H]4CCCC[C@@H]4O3)c2n1
Show InChI InChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m1/s1
Affinity DataKi:  79.4nMAssay Description:Binding affinity to H4R receptorMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM26226((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...)
Show SMILES Nc1nc(N2CCNCC2)c2CCC3=C([C@@H]4CCCC[C@@H]4O3)c2n1
Show InChI InChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m1/s1
Affinity DataKi:  933nM ΔG°:  -8.22kcal/molepH: 7.4 T: 2°CAssay Description:Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...More data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM26226((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...)
Show SMILES Nc1nc(N2CCNCC2)c2CCC3=C([C@@H]4CCCC[C@@H]4O3)c2n1
Show InChI InChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m1/s1
Affinity DataKi:  3.55E+3nM ΔG°:  -7.43kcal/molepH: 7.4 T: 2°CAssay Description:Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...More data for this Ligand-Target Pair
TargetHistamine H2 receptor(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM26226((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...)
Show SMILES Nc1nc(N2CCNCC2)c2CCC3=C([C@@H]4CCCC[C@@H]4O3)c2n1
Show InChI InChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m1/s1
Affinity DataKi: >9.12E+3nM ΔG°: >-6.87kcal/molepH: 7.4 T: 2°CAssay Description:Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...More data for this Ligand-Target Pair