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SMILES: FC1(F)CCN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1

InChI Key: InChIKey=OGQADGYHVAQLNE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50336077   

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))	BDBM50336077 (2-((2-(2-(3,3-difluoropyrrolidin-1-yl)ethyl)-1H-in...) Show SMILES FC1(F)CCN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1 |c:8| Show InChI InChI=1S/C20H21F2N3/c21-20(22)6-10-25(14-20)9-5-16-11-15-3-1-2-4-18(15)19(16)12-17-13-23-7-8-24-17/h1-4,7-8,13H,5-6,9-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	249	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))	BDBM50336077 (2-((2-(2-(3,3-difluoropyrrolidin-1-yl)ethyl)-1H-in...) Show SMILES FC1(F)CCN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1 |c:8| Show InChI InChI=1S/C20H21F2N3/c21-20(22)6-10-25(14-20)9-5-16-11-15-3-1-2-4-18(15)19(16)12-17-13-23-7-8-24-17/h1-4,7-8,13H,5-6,9-12,14H2	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	1.41E+3	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))	BDBM50336077 (2-((2-(2-(3,3-difluoropyrrolidin-1-yl)ethyl)-1H-in...) Show SMILES FC1(F)CCN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1 |c:8| Show InChI InChI=1S/C20H21F2N3/c21-20(22)6-10-25(14-20)9-5-16-11-15-3-1-2-4-18(15)19(16)12-17-13-23-7-8-24-17/h1-4,7-8,13H,5-6,9-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.53E+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