BDBM50325065 1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperazin-1-yl)methyl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane::CHEMBL1223158

SMILES: CN1CCN(Cc2ccc(cc2)C(N2CCCN(CC2)C2CCC2)c2nnnn2Cc2ccccc2)CC1

InChI Key: InChIKey=KOIKIOIHIGLQAU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50325065   

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))	BDBM50325065 (1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperaz...) Show SMILES CN1CCN(Cc2ccc(cc2)C(N2CCCN(CC2)C2CCC2)c2nnnn2Cc2ccccc2)CC1 Show InChI InChI=1S/C30H42N8/c1-34-17-19-35(20-18-34)23-26-11-13-27(14-12-26)29(37-16-6-15-36(21-22-37)28-9-5-10-28)30-31-32-33-38(30)24-25-7-3-2-4-8-25/h2-4,7-8,11-14,28-29H,5-6,9-10,15-24H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor				Bioorg Med Chem Lett 20: 5165-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.009 BindingDB Entry DOI: 10.7270/Q2TQ61RV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50325065 (1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperaz...) Show SMILES CN1CCN(Cc2ccc(cc2)C(N2CCCN(CC2)C2CCC2)c2nnnn2Cc2ccccc2)CC1 Show InChI InChI=1S/C30H42N8/c1-34-17-19-35(20-18-34)23-26-11-13-27(14-12-26)29(37-16-6-15-36(21-22-37)28-9-5-10-28)30-31-32-33-38(30)24-25-7-3-2-4-8-25/h2-4,7-8,11-14,28-29H,5-6,9-10,15-24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 20: 5165-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.009 BindingDB Entry DOI: 10.7270/Q2TQ61RV
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50325065 (1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperaz...) Show SMILES CN1CCN(Cc2ccc(cc2)C(N2CCCN(CC2)C2CCC2)c2nnnn2Cc2ccccc2)CC1 Show InChI InChI=1S/C30H42N8/c1-34-17-19-35(20-18-34)23-26-11-13-27(14-12-26)29(37-16-6-15-36(21-22-37)28-9-5-10-28)30-31-32-33-38(30)24-25-7-3-2-4-8-25/h2-4,7-8,11-14,28-29H,5-6,9-10,15-24H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 5165-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.009 BindingDB Entry DOI: 10.7270/Q2TQ61RV
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50325065 (1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperaz...) Show SMILES CN1CCN(Cc2ccc(cc2)C(N2CCCN(CC2)C2CCC2)c2nnnn2Cc2ccccc2)CC1 Show InChI InChI=1S/C30H42N8/c1-34-17-19-35(20-18-34)23-26-11-13-27(14-12-26)29(37-16-6-15-36(21-22-37)28-9-5-10-28)30-31-32-33-38(30)24-25-7-3-2-4-8-25/h2-4,7-8,11-14,28-29H,5-6,9-10,15-24H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd Curated by ChEMBL					Assay Description Antagonist activity at rat histamine H3 receptor				Bioorg Med Chem Lett 20: 5165-9 (2010) Article DOI: 10.1016/j.bmcl.2010.07.009 BindingDB Entry DOI: 10.7270/Q2TQ61RV
					More data for this Ligand-Target Pair