BDBM50325933 (S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H-tetrazol-2-yl)propan-1-amine::CHEMBL1224382

SMILES: CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(C)n1

InChI Key: InChIKey=ZLRRLSAVNUFCQT-LBPRGKRZSA-N

Data: 8 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 8 hits for monomerid = 50325933   

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
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50325933 ((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...) Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(C)n1 |r| Show InChI InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank 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
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50325933 ((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...) Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(C)n1 |r| Show InChI InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/t12-/m0/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50325933 ((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...) Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(C)n1 |r| Show InChI InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/t12-/m0/s1	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
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50325933 ((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...) Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(C)n1 |r| Show InChI InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/t12-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cells				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50325933 ((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...) Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(C)n1 |r| Show InChI InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/t12-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50325933 ((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...) Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(C)n1 |r| Show InChI InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50325933 ((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...) Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(C)n1 |r| Show InChI InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.8	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in MDCK cells				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50325933 ((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...) Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(C)n1 |r| Show InChI InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/t12-/m0/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair