BDBM50048171 CHEMBL3310484

SMILES: Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1

InChI Key: InChIKey=GVIKXRIOBFGDFP-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50048171   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50048171 (CHEMBL3310484) Show SMILES Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048171 (CHEMBL3310484) Show SMILES Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048171 (CHEMBL3310484) Show SMILES Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50048171 (CHEMBL3310484) Show SMILES Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2	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	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO-K1 cells by patch-clamp electrophysiology method				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50048171 (CHEMBL3310484) Show SMILES Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2	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	250	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2C19 preincubated for 5 mins before fluorescent substrate addition by fluorescence assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50048171 (CHEMBL3310484) Show SMILES Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6 preincubated for 5 mins before fluorescent substrate addition by fluorescence assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50048171 (CHEMBL3310484) Show SMILES Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2	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	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2C9 preincubated for 5 mins before fluorescent substrate addition by fluorescence assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50048171 (CHEMBL3310484) Show SMILES Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2	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	710	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 preincubated for 5 mins before fluorescent substrate addition by fluorescence assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50048171 (CHEMBL3310484) Show SMILES Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2 preincubated for 5 mins before fluorescent substrate addition by fluorescence assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair