null

SMILES: Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1

InChI Key: InChIKey=BDAYYWQLRAMGNO-SFHVURJKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50352800   

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 H3 receptor (Homo sapiens (Human))	BDBM50352800 (CHEMBL1823410) Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1 |r| Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-4-5-18(25)15-24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-NAMH from human histamine H3 receptor				Bioorg Med Chem Lett 21: 5543-6 (2011) Article DOI: 10.1016/j.bmcl.2011.06.094 BindingDB Entry DOI: 10.7270/Q2QF8TW7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50352800 (CHEMBL1823410) Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1 |r| Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-4-5-18(25)15-24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-NAMH from rat histamine H3 receptor				Bioorg Med Chem Lett 21: 5543-6 (2011) Article DOI: 10.1016/j.bmcl.2011.06.094 BindingDB Entry DOI: 10.7270/Q2QF8TW7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50352800 (CHEMBL1823410) Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1 |r| Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-4-5-18(25)15-24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 21: 5543-6 (2011) Article DOI: 10.1016/j.bmcl.2011.06.094 BindingDB Entry DOI: 10.7270/Q2QF8TW7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50352800 (CHEMBL1823410) Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1 |r| Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-4-5-18(25)15-24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 21: 5543-6 (2011) Article DOI: 10.1016/j.bmcl.2011.06.094 BindingDB Entry DOI: 10.7270/Q2QF8TW7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50352800 (CHEMBL1823410) Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1 |r| Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-4-5-18(25)15-24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 21: 5543-6 (2011) Article DOI: 10.1016/j.bmcl.2011.06.094 BindingDB Entry DOI: 10.7270/Q2QF8TW7
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50352800 (CHEMBL1823410) Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1 |r| Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-4-5-18(25)15-24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon Inc. Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 21: 5543-6 (2011) Article DOI: 10.1016/j.bmcl.2011.06.094 BindingDB Entry DOI: 10.7270/Q2QF8TW7
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50352800 (CHEMBL1823410) Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1 |r| Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-4-5-18(25)15-24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 21: 5543-6 (2011) Article DOI: 10.1016/j.bmcl.2011.06.094 BindingDB Entry DOI: 10.7270/Q2QF8TW7
					More data for this Ligand-Target Pair