BDBM36552 Prochelators, 2
SMILES: CN(CC#C)Cc1ccc(OC(=O)N(C)C)c2ncccc12
InChI Key: InChIKey=JWUFDSSCTMPGLI-UHFFFAOYSA-N
Data: 8 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Rattus norvegicus (rat)) | BDBM36552 (Prochelators, 2) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 520 | n/a | n/a | n/a | n/a | 7.4 | 37 |
The Weizmann Institute of Science | Assay Description Inhibition of AChE and BChE activity in rat brain homogenates using Ellman's method. | ACS Chem Biol 5: 603-10 (2010) Article DOI: 10.1021/cb900264w BindingDB Entry DOI: 10.7270/Q2959FX1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxylic ester hydrolase (Rattus norvegicus (rat)) | BDBM36552 (Prochelators, 2) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.49E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
The Weizmann Institute of Science | Assay Description Inhibition of AChE and BChE activity in rat brain homogenates using Ellman's method. | ACS Chem Biol 5: 603-10 (2010) Article DOI: 10.1021/cb900264w BindingDB Entry DOI: 10.7270/Q2959FX1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine oxidase (Rattus norvegicus (rat)) | BDBM36552 (Prochelators, 2) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | 7.4 | 37 |
The Weizmann Institute of Science | Assay Description Inhibition of MAO activity in rat brain homogenates. | ACS Chem Biol 5: 603-10 (2010) Article DOI: 10.1021/cb900264w BindingDB Entry DOI: 10.7270/Q2959FX1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM36552 (Prochelators, 2) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratorio de Qu�mica M�dica, (IQOG, CSIC) Curated by ChEMBL | Assay Description Inhibition of recombinant human BuChE expressed in HEK293 cells preincubated for 15 mins | J Med Chem 57: 10455-63 (2014) Article DOI: 10.1021/jm501501a BindingDB Entry DOI: 10.7270/Q2WS8VX3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine oxidase (Rattus norvegicus (rat)) | BDBM36552 (Prochelators, 2) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratorio de Qu�mica M�dica, (IQOG, CSIC) Curated by ChEMBL | Assay Description Inhibition of rat MAO-A | J Med Chem 57: 10455-63 (2014) Article DOI: 10.1021/jm501501a BindingDB Entry DOI: 10.7270/Q2WS8VX3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat)) | BDBM36552 (Prochelators, 2) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratorio de Qu�mica M�dica, (IQOG, CSIC) Curated by ChEMBL | Assay Description Inhibition of rat MAO-B | J Med Chem 57: 10455-63 (2014) Article DOI: 10.1021/jm501501a BindingDB Entry DOI: 10.7270/Q2WS8VX3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM36552 (Prochelators, 2) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratorio de Qu�mica M�dica, (IQOG, CSIC) Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells preincubated for 15 mins | J Med Chem 57: 10455-63 (2014) Article DOI: 10.1021/jm501501a BindingDB Entry DOI: 10.7270/Q2WS8VX3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat)) | BDBM36552 (Prochelators, 2) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | 7.4 | 37 |
The Weizmann Institute of Science | Assay Description Inhibition of MAO activity in rat brain homogenates. | ACS Chem Biol 5: 603-10 (2010) Article DOI: 10.1021/cb900264w BindingDB Entry DOI: 10.7270/Q2959FX1 | |||||||||||
More data for this Ligand-Target Pair |