null
SMILES: CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
InChI Key: InChIKey=SNPPWIUOZRMYNY-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human)) | BDBM50048392 (2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human)) | BDBM50048392 (2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human)) | BDBM50048392 (2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50048392 (2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50048392 (2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 6.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute | Assay Description HERG: The pre- and post-compound hERG current was evoked by a single voltage pulse consisting of a 20 s period holding at −70 mV, a 160 ms step... | Bioorg Med Chem Lett 19: 1164-7 (2009) BindingDB Entry DOI: 10.7270/Q26D5WBR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50048392 (2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 3.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
College of Pharmacy and Research Institute of Drug Development, Chonnam National University, Gwangju 61186, Republic of Korea. Curated by ChEMBL | Assay Description Inhibition of re-uptake of [3H]-NE at human NET expressed in HEK293 cells by liquid scintillation counting | Bioorg Med Chem 25: 5278-5289 (2017) Article DOI: 10.1016/j.bmc.2017.07.046 BindingDB Entry DOI: 10.7270/Q28C9ZPV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50048392 (2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
College of Pharmacy and Research Institute of Drug Development, Chonnam National University, Gwangju 61186, Republic of Korea. Curated by ChEMBL | Assay Description Inhibition of re-uptake of [3H]-DA at human DAT expressed in HEK293 cells by liquid scintillation counting | Bioorg Med Chem 25: 5278-5289 (2017) Article DOI: 10.1016/j.bmc.2017.07.046 BindingDB Entry DOI: 10.7270/Q28C9ZPV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50048392 (2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 3.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chonnam National University Curated by ChEMBL | Assay Description Inhibition of human NET expressed in HEK293 cells assessed as reduction in [3H]-NE uptake by micro beta scintillation counting analysis | Bioorg Med Chem 26: 4127-4135 (2018) Article DOI: 10.1016/j.bmc.2018.06.043 BindingDB Entry DOI: 10.7270/Q2474DHG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50048392 (2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chonnam National University Curated by ChEMBL | Assay Description Inhibition of human DAT expressed in HEK293 cells assessed as reduction in [3H]-DA uptake by micro beta scintillation counting analysis | Bioorg Med Chem 26: 4127-4135 (2018) Article DOI: 10.1016/j.bmc.2018.06.043 BindingDB Entry DOI: 10.7270/Q2474DHG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50048392 (2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chonnam National University Curated by ChEMBL | Assay Description Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by liquid scintillation counting method | Bioorg Med Chem 24: 5546-5555 (2016) Article DOI: 10.1016/j.bmc.2016.09.005 BindingDB Entry DOI: 10.7270/Q2736VF8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50048392 (2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 3.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chonnam National University Curated by ChEMBL | Assay Description Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by liquid scintillation counting method | Bioorg Med Chem 24: 5546-5555 (2016) Article DOI: 10.1016/j.bmc.2016.09.005 BindingDB Entry DOI: 10.7270/Q2736VF8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50048392 (2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1016/j.bmcl.2022.129009 BindingDB Entry DOI: 10.7270/Q27S7SV3 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
UDP-glucuronosyltransferase 1A4 (Homo sapiens (Human)) | BDBM50048392 (2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.52E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences | Assay Description Refer to Fisher et al., Drug Metab. Dispos., 28:560-566. | J Enzyme Inhib Med Chem 26: 386-93 (2011) Article DOI: 10.3109/14756366.2010.518965 BindingDB Entry DOI: 10.7270/Q2HQ3XS4 | |||||||||||
More data for this Ligand-Target Pair |
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