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

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 26226   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histamine H4 Receptor (Rattus norvegicus (rat))	BDBM26226 ((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...) Show SMILES [H][C@]12CCCC[C@@]1([H])C1=C(CCc3c(nc(N)nc13)N1CCNCC1)O2 |r,t:9| 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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.40	-11.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 7094-8 (2008) Article DOI: 10.1021/jm8007618 BindingDB Entry DOI: 10.7270/Q2862DS6
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM26226 ((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...) Show SMILES [H][C@]12CCCC[C@@]1([H])C1=C(CCc3c(nc(N)nc13)N1CCNCC1)O2 |r,t:9| 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.80	-11.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 7094-8 (2008) Article DOI: 10.1021/jm8007618 BindingDB Entry DOI: 10.7270/Q2862DS6
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM26226 ((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...) Show SMILES [H][C@]12CCCC[C@@]1([H])C1=C(CCc3c(nc(N)nc13)N1CCNCC1)O2 |r,t:9| 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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	13.5	-10.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 7094-8 (2008) Article DOI: 10.1021/jm8007618 BindingDB Entry DOI: 10.7270/Q2862DS6
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM26226 ((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...) Show SMILES [H][C@]12CCCC[C@@]1([H])C1=C(CCc3c(nc(N)nc13)N1CCNCC1)O2 |r,t:9| 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Binding affinity to H4R receptor				Bioorg Med Chem Lett 21: 5460-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.123 BindingDB Entry DOI: 10.7270/Q2ZC844K
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM26226 ((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...) Show SMILES [H][C@]12CCCC[C@@]1([H])C1=C(CCc3c(nc(N)nc13)N1CCNCC1)O2 |r,t:9| 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	933	-8.22	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 7094-8 (2008) Article DOI: 10.1021/jm8007618 BindingDB Entry DOI: 10.7270/Q2862DS6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM26226 ((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...) Show SMILES [H][C@]12CCCC[C@@]1([H])C1=C(CCc3c(nc(N)nc13)N1CCNCC1)O2 |r,t:9| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.55E+3	-7.43	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 7094-8 (2008) Article DOI: 10.1021/jm8007618 BindingDB Entry DOI: 10.7270/Q2862DS6
					More data for this Ligand-Target Pair
Histamine H2 Receptor (Homo sapiens (Human))	BDBM26226 ((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...) Show SMILES [H][C@]12CCCC[C@@]1([H])C1=C(CCc3c(nc(N)nc13)N1CCNCC1)O2 |r,t:9| 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>9.12E+3	>-6.87	n/a	n/a	n/a	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...				J Med Chem 51: 7094-8 (2008) Article DOI: 10.1021/jm8007618 BindingDB Entry DOI: 10.7270/Q2862DS6
					More data for this Ligand-Target Pair