null

SMILES: CN(CCF)CCC1=C(Cc2cnccn2)c2ccccc2C1

InChI Key: InChIKey=PNSJAJNXVSKCBP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50336068   

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))	BDBM50336068 (2-fluoro-N-methyl-N-(2-(3-(pyrazin-2-ylmethyl)-1H-...) Show SMILES CN(CCF)CCC1=C(Cc2cnccn2)c2ccccc2C1 |c:7| Show InChI InChI=1S/C19H22FN3/c1-23(11-7-20)10-6-16-12-15-4-2-3-5-18(15)19(16)13-17-14-21-8-9-22-17/h2-5,8-9,14H,6-7,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	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))	BDBM50336068 (2-fluoro-N-methyl-N-(2-(3-(pyrazin-2-ylmethyl)-1H-...) Show SMILES CN(CCF)CCC1=C(Cc2cnccn2)c2ccccc2C1 |c:7| Show InChI InChI=1S/C19H22FN3/c1-23(11-7-20)10-6-16-12-15-4-2-3-5-18(15)19(16)13-17-14-21-8-9-22-17/h2-5,8-9,14H,6-7,10-13H2,1H3	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))	BDBM50336068 (2-fluoro-N-methyl-N-(2-(3-(pyrazin-2-ylmethyl)-1H-...) Show SMILES CN(CCF)CCC1=C(Cc2cnccn2)c2ccccc2C1 |c:7| Show InChI InChI=1S/C19H22FN3/c1-23(11-7-20)10-6-16-12-15-4-2-3-5-18(15)19(16)13-17-14-21-8-9-22-17/h2-5,8-9,14H,6-7,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.09E+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