BDBM50302922 1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)propan-1-one::2-(N-tert-Butylamino)-4'-bromo-5'-methylpropiophenone::CHEMBL565845
SMILES: CC(NC(C)(C)C)C(=O)c1ccc(Br)c(C)c1
InChI Key: InChIKey=PFEJBPNFLAFPKN-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50302922 (1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells | J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50302922 (1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells | J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50302922 (1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells | J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50302922 (1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells | J Med Chem 53: 2204-14 (2010) Article DOI: 10.1021/jm9017465 BindingDB Entry DOI: 10.7270/Q2FN1693 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50302922 (1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl... | J Med Chem 53: 2204-14 (2010) Article DOI: 10.1021/jm9017465 BindingDB Entry DOI: 10.7270/Q2FN1693 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50302922 (1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells | J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50302922 (1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cells | J Med Chem 53: 2204-14 (2010) Article DOI: 10.1021/jm9017465 BindingDB Entry DOI: 10.7270/Q2FN1693 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50302922 (1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells | J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50302922 (1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 473 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells | J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50302922 (1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells | J Med Chem 53: 2204-14 (2010) Article DOI: 10.1021/jm9017465 BindingDB Entry DOI: 10.7270/Q2FN1693 | |||||||||||
More data for this Ligand-Target Pair |