BDBM50360994 CHEMBL1935431

SMILES: CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1

InChI Key: InChIKey=XRZMHKTZJWSXPQ-UHFFFAOYSA-N

Data: 5 KI  2 IC50

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 = 50360994   

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 H1 receptor (Homo sapiens (Human))	BDBM50360994 (CHEMBL1935431) Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O/c1-26(2)22(29)16-27-13-5-6-18(15-27)23-25-20-7-3-4-8-21(20)28(23)14-17-9-11-19(24)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at histamine H1 receptor				Bioorg Med Chem Lett 22: 421-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.115 BindingDB Entry DOI: 10.7270/Q2J103KS
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50360994 (CHEMBL1935431) Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O/c1-26(2)22(29)16-27-13-5-6-18(15-27)23-25-20-7-3-4-8-21(20)28(23)14-17-9-11-19(24)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at histamine H1 receptor				Bioorg Med Chem Lett 22: 421-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.115 BindingDB Entry DOI: 10.7270/Q2J103KS
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50360994 (CHEMBL1935431) Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O/c1-26(2)22(29)16-27-13-5-6-18(15-27)23-25-20-7-3-4-8-21(20)28(23)14-17-9-11-19(24)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human Erg				Bioorg Med Chem Lett 22: 421-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.115 BindingDB Entry DOI: 10.7270/Q2J103KS
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50360994 (CHEMBL1935431) Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O/c1-26(2)22(29)16-27-13-5-6-18(15-27)23-25-20-7-3-4-8-21(20)28(23)14-17-9-11-19(24)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human Erg				Bioorg Med Chem Lett 22: 421-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.115 BindingDB Entry DOI: 10.7270/Q2J103KS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50360994 (CHEMBL1935431) Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O/c1-26(2)22(29)16-27-13-5-6-18(15-27)23-25-20-7-3-4-8-21(20)28(23)14-17-9-11-19(24)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of muscarinic M1 receptor				Bioorg Med Chem Lett 22: 421-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.115 BindingDB Entry DOI: 10.7270/Q2J103KS
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50360994 (CHEMBL1935431) Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O/c1-26(2)22(29)16-27-13-5-6-18(15-27)23-25-20-7-3-4-8-21(20)28(23)14-17-9-11-19(24)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 22: 421-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.115 BindingDB Entry DOI: 10.7270/Q2J103KS
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50360994 (CHEMBL1935431) Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O/c1-26(2)22(29)16-27-13-5-6-18(15-27)23-25-20-7-3-4-8-21(20)28(23)14-17-9-11-19(24)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 22: 421-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.115 BindingDB Entry DOI: 10.7270/Q2J103KS
					More data for this Ligand-Target Pair