BDBM50164465 CHEMBL190937::N,N-dimethyl-2-(2'-amino-4'-hydroxymethylphenylthio)benzylamine::[3-Amino-4-(2-dimethylaminomethyl-phenylsulfanyl)-phenyl]-methanol

SMILES: CN(C)Cc1ccccc1Sc1ccc(CO)cc1N

InChI Key: InChIKey=IAGCXXVAWFKIDP-UHFFFAOYSA-N

Data: 9 KI

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 = 50164465   

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))	BDBM50164465 (CHEMBL190937 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CO)cc1N Show InChI InChI=1S/C16H20N2OS/c1-18(2)10-13-5-3-4-6-15(13)20-16-8-7-12(11-19)9-14(16)17/h3-9,19H,10-11,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				J Med Chem 51: 271-81 (2008) Article DOI: 10.1021/jm0707929 BindingDB Entry DOI: 10.7270/Q23778G6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50164465 (CHEMBL190937 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CO)cc1N Show InChI InChI=1S/C16H20N2OS/c1-18(2)10-13-5-3-4-6-15(13)20-16-8-7-12(11-19)9-14(16)17/h3-9,19H,10-11,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-citalopram binding to human serotonin transporter expressed in human HEK-293 cells				J Med Chem 48: 4254-65 (2005) Article DOI: 10.1021/jm050079o BindingDB Entry DOI: 10.7270/Q20R9NZ1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50164465 (CHEMBL190937 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CO)cc1N Show InChI InChI=1S/C16H20N2OS/c1-18(2)10-13-5-3-4-6-15(13)20-16-8-7-12(11-19)9-14(16)17/h3-9,19H,10-11,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50164465 (CHEMBL190937 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CO)cc1N Show InChI InChI=1S/C16H20N2OS/c1-18(2)10-13-5-3-4-6-15(13)20-16-8-7-12(11-19)9-14(16)17/h3-9,19H,10-11,17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	303	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-nisoxetine binding to norepinephrine transporter expressed in human kidney cells				J Med Chem 48: 4254-65 (2005) Article DOI: 10.1021/jm050079o BindingDB Entry DOI: 10.7270/Q20R9NZ1
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50164465 (CHEMBL190937 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CO)cc1N Show InChI InChI=1S/C16H20N2OS/c1-18(2)10-13-5-3-4-6-15(13)20-16-8-7-12(11-19)9-14(16)17/h3-9,19H,10-11,17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	303	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET t expressed in HEK293 cells				J Med Chem 51: 271-81 (2008) Article DOI: 10.1021/jm0707929 BindingDB Entry DOI: 10.7270/Q23778G6
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50164465 (CHEMBL190937 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CO)cc1N Show InChI InChI=1S/C16H20N2OS/c1-18(2)10-13-5-3-4-6-15(13)20-16-8-7-12(11-19)9-14(16)17/h3-9,19H,10-11,17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	787	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50164465 (CHEMBL190937 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CO)cc1N Show InChI InChI=1S/C16H20N2OS/c1-18(2)10-13-5-3-4-6-15(13)20-16-8-7-12(11-19)9-14(16)17/h3-9,19H,10-11,17H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human DAT expressed in MDCK cells				J Med Chem 51: 271-81 (2008) Article DOI: 10.1021/jm0707929 BindingDB Entry DOI: 10.7270/Q23778G6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50164465 (CHEMBL190937 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CO)cc1N Show InChI InChI=1S/C16H20N2OS/c1-18(2)10-13-5-3-4-6-15(13)20-16-8-7-12(11-19)9-14(16)17/h3-9,19H,10-11,17H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-WIN- 35,428 binding to human dopamine transporter expressed in canine kidney cells				J Med Chem 48: 4254-65 (2005) Article DOI: 10.1021/jm050079o BindingDB Entry DOI: 10.7270/Q20R9NZ1
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50164465 (CHEMBL190937 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CO)cc1N Show InChI InChI=1S/C16H20N2OS/c1-18(2)10-13-5-3-4-6-15(13)20-16-8-7-12(11-19)9-14(16)17/h3-9,19H,10-11,17H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair