BindingDB PrimarySearch

BDBM50002012 (trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethyl-indan-1-yl]-piperazin-1-yl}-ethanol::2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethyl-indan-1-yl]-piperazin-1-yl}-ethanol::CHEMBL1204138::CHEMBL12628::tefludazine

SMILES: OCCN1CCN(CC1)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1

InChI Key: InChIKey=JSBWGXQXCRYYTG-UHFFFAOYSA-N

Data: 5 KI 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50002012
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(2) dopamine receptor (Homo sapiens (Human))	BDBM50002012 ((trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethy...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP K_i Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
ACADIA Pharmaceuticals Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50002012 ((trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP K_i Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
ACADIA Pharmaceuticals Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50002012 ((trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethy...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP K_i Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
ACADIA Pharmaceuticals Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50002012 ((trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP K_i Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
ACADIA Pharmaceuticals Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50002012 ((trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethy...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Curated by PDSP K_i Database									J Pharmacol Exp Ther 315: 1278-87 (2005) Article DOI: 10.1124/jpet.105.092155 BindingDB Entry DOI: 10.7270/Q2Z60MNB
ACADIA Pharmaceuticals Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50002012 ((trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]haloperidol from rat striatal membranes, in order to measure its intrinsic affinity for the dopamine (DA) receptor				J Med Chem 26: 935-47 (1983) BindingDB Entry DOI: 10.7270/Q2JH3MR6
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Adrenergic receptor beta (Rattus norvegicus (Rat))	BDBM50002012 ((trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Effect on synaptosomal uptake inhibition of Noradrenaline (NA)				J Med Chem 26: 935-47 (1983) BindingDB Entry DOI: 10.7270/Q2JH3MR6
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50002012 ((trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethy...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Effect on synaptosomal uptake inhibition of Dopamine transporter				J Med Chem 26: 935-47 (1983) BindingDB Entry DOI: 10.7270/Q2JH3MR6
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50002012 ((trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)				J Med Chem 26: 935-47 (1983) BindingDB Entry DOI: 10.7270/Q2JH3MR6
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50002012 ((trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.				J Med Chem 38: 4380-92 (1995) BindingDB Entry DOI: 10.7270/Q28C9V87
H. Lundbeck A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50002012 ((trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethy...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Effect on synaptosomal uptake inhibition of Dopamine transporter				J Med Chem 26: 935-47 (1983) BindingDB Entry DOI: 10.7270/Q2JH3MR6
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50002012 ((trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethy...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D2				J Med Chem 38: 4380-92 (1995) BindingDB Entry DOI: 10.7270/Q28C9V87
H. Lundbeck A/S Curated by ChEMBL					More data for this Ligand-Target Pair