BindingDB PrimarySearch

BDBM50199792 CHEMBL3126735::US10913711, Compound 4g::US9862679, Compound 4g

SMILES: Fc1ccc(cc1)C(SCCNCCCc1ccccc1)c1ccc(F)cc1

InChI Key: InChIKey=IWZNOFWARONDLD-UHFFFAOYSA-N

Data: 16 KI 1 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50199792
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50199792 (CHEMBL3126735 \| US10913711, Compound 4g \| US986267...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D4R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assay				J Med Chem 59: 10676-10691 (2016) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
National Institute on Drug Abuse Curated by ChEMBL					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50199792 (CHEMBL3126735 \| US10913711, Compound 4g \| US986267...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assay				J Med Chem 59: 10676-10691 (2016) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
National Institute on Drug Abuse Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50199792 (CHEMBL3126735 \| US10913711, Compound 4g \| US986267...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35,428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting analysis				J Med Chem 57: 1000-13 (2014) Article DOI: 10.1021/jm401754x BindingDB Entry DOI: 10.7270/Q2JM2DMK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50199792 (CHEMBL3126735 \| US10913711, Compound 4g \| US986267...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay				J Med Chem 59: 10676-10691 (2016) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
National Institute on Drug Abuse Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50199792 (CHEMBL3126735 \| US10913711, Compound 4g \| US986267...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES US Patent					Assay Description Dopamine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quick...				US Patent US10913711 (2021)
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50199792 (CHEMBL3126735 \| US10913711, Compound 4g \| US986267...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q2PR7Z87
Rheinische Friedrich-Wilhelms-Universitat Bonn					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50199792 (CHEMBL3126735 \| US10913711, Compound 4g \| US986267...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	159	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in whole-guinea pig brain minus cerebellum homogenates incubated for 120 mins by radioligand...				J Med Chem 59: 10676-10691 (2016) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
National Institute on Drug Abuse Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50199792 (CHEMBL3126735 \| US10913711, Compound 4g \| US986267...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	228	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assay				J Med Chem 59: 10676-10691 (2016) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
National Institute on Drug Abuse Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50199792 (CHEMBL3126735 \| US10913711, Compound 4g \| US986267...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	354	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain SERT after 60 mins by liquid scintillation counting analysis				J Med Chem 57: 1000-13 (2014) Article DOI: 10.1021/jm401754x BindingDB Entry DOI: 10.7270/Q2JM2DMK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50199792 (CHEMBL3126735 \| US10913711, Compound 4g \| US986267...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES US Patent					Assay Description Serotonin Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain ...				US Patent US10913711 (2021)
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50199792 (CHEMBL3126735 \| US10913711, Compound 4g \| US986267...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain stem membranes incubated for 60 mins by radioligand binding assay				J Med Chem 59: 10676-10691 (2016) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
National Institute on Drug Abuse Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50199792 (CHEMBL3126735 \| US10913711, Compound 4g \| US986267...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q2PR7Z87
Rheinische Friedrich-Wilhelms-Universitat Bonn					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50199792 (CHEMBL3126735 \| US10913711, Compound 4g \| US986267...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [3H]WIN35,428 from wild type human DAT expressed in COS7 cell membranes incubated for >90 mins by radioligand binding assay				J Med Chem 59: 10676-10691 (2016) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
National Institute on Drug Abuse Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50199792 (CHEMBL3126735 \| US10913711, Compound 4g \| US986267...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Inhibition of DAT (unknown origin) expressed in COS7 cells assessed as reduction in [3H]DA uptake incubated for 5 mins by beta-scintillation counting...				J Med Chem 59: 10676-10691 (2016) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
National Institute on Drug Abuse Curated by ChEMBL					More data for this Ligand-Target Pair
Neuroepithelial cell-transforming 1 (Rat)	BDBM50199792 (CHEMBL3126735 \| US10913711, Compound 4g \| US986267...) Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	3.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES US Patent					Assay Description Norepinephrine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, fron...				US Patent US10913711 (2021)
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50199792 (CHEMBL3126735 \| US10913711, Compound 4g \| US986267...) Show SMILES Show InChI	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	3.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q2PR7Z87
Rheinische Friedrich-Wilhelms-Universitat Bonn					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50199792 (CHEMBL3126735 \| US10913711, Compound 4g \| US986267...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Antagonist activity at DRD2 (unknown origin) expressed in HEK293T cells transfected with Galphai1-RLuc8 and gamma2-GFP10 assessed as inhibition of qu...				J Med Chem 59: 10676-10691 (2016) Article DOI: 10.1021/acs.jmedchem.6b01373 BindingDB Entry DOI: 10.7270/Q2WQ05RV
National Institute on Drug Abuse Curated by ChEMBL					More data for this Ligand-Target Pair