BDBM50322698 rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane

SMILES: COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=ICXJGCSEMJXNQF-ZIAGYGMSSA-N

Data: 7 KI  18 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 25 hits for monomerid = 50322698   

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))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Binding affinity to human SERT				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
Norepinephrine transporter (MOUSE)	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET in mouse brain				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair
SLC6A4 (MOUSE)	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in mouse cortex after 2 hrs by liquid scintillation counting				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET in rat hippocampus after 2 hrs by liquid scintillation counting				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair
Monoamine transporter (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Binding affinity to human NET				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Binding affinity to human DAT				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
SLC6A3 (MOUSE)	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in mouse brain				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 after 10 mins				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Binding affinity to DAT (unknown origin)				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 after 10 mins				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 after 10 mins				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 after 10 mins				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 after 10 mins				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 after 10 mins				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 after 10 mins				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair
Monoamine transporter (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Binding affinity to NET (unknown origin)				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol-Myers Squibb R&D Centre Curated by ChEMBL					Assay Description Binding affinity to SERT (unknown origin)				J Med Chem 61: 2133-2165 (2018) Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 after 10 mins				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 after 10 mins				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 after 10 mins				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 after 10 mins				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 after 10 mins				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 after 10 mins				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 after 10 mins				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50322698 (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...) Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 after 10 mins				J Med Chem 53: 4989-5001 (2010) Article DOI: 10.1021/jm100481d BindingDB Entry DOI: 10.7270/Q20V8DR3
					More data for this Ligand-Target Pair