null

SMILES: C(CC1=C(Cc2cnccn2)c2ccccc2C1)N1CCC1

InChI Key: InChIKey=ADLLYWYUHVDQBH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50336073   

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))	BDBM50336073 (2-((2-(2-(azetidin-1-yl)ethyl)-1H-inden-3-yl)methy...) Show SMILES C(CC1=C(Cc2cnccn2)c2ccccc2C1)N1CCC1 |c:2| Show InChI InChI=1S/C19H21N3/c1-2-5-18-15(4-1)12-16(6-11-22-9-3-10-22)19(18)13-17-14-20-7-8-21-17/h1-2,4-5,7-8,14H,3,6,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor				Bioorg Med Chem Lett 21: 947-51 (2011) Article DOI: 10.1016/j.bmcl.2010.12.053 BindingDB Entry DOI: 10.7270/Q2319W59
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50336073 (2-((2-(2-(azetidin-1-yl)ethyl)-1H-inden-3-yl)methy...) Show SMILES C(CC1=C(Cc2cnccn2)c2ccccc2C1)N1CCC1 |c:2| Show InChI InChI=1S/C19H21N3/c1-2-5-18-15(4-1)12-16(6-11-22-9-3-10-22)19(18)13-17-14-20-7-8-21-17/h1-2,4-5,7-8,14H,3,6,9-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 21: 947-51 (2011) Article DOI: 10.1016/j.bmcl.2010.12.053 BindingDB Entry DOI: 10.7270/Q2319W59
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50336073 (2-((2-(2-(azetidin-1-yl)ethyl)-1H-inden-3-yl)methy...) Show SMILES C(CC1=C(Cc2cnccn2)c2ccccc2C1)N1CCC1 |c:2| Show InChI InChI=1S/C19H21N3/c1-2-5-18-15(4-1)12-16(6-11-22-9-3-10-22)19(18)13-17-14-20-7-8-21-17/h1-2,4-5,7-8,14H,3,6,9-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.85E+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 21: 947-51 (2011) Article DOI: 10.1016/j.bmcl.2010.12.053 BindingDB Entry DOI: 10.7270/Q2319W59
					More data for this Ligand-Target Pair