BDBM10452 Bivalent 4-Aminoquinoline 9f::N,N-di-4-Quinolyl-1,7-diaminoheptane dihydrochloride::N-[7-(quinolin-4-ylamino)heptyl]quinolin-4-amine dihydrochloride
SMILES: C(CCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
InChI Key: InChIKey=OQGAVEZMVJJWSH-UHFFFAOYSA-N
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM10452 (Bivalent 4-Aminoquinoline 9f | N,N-di-4-Quinolyl-1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
25288493 Curated by ChEMBL | Assay Description Binding affinity to human alpha1A adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor | Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM10452 (Bivalent 4-Aminoquinoline 9f | N,N-di-4-Quinolyl-1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
25288493 Curated by ChEMBL | Assay Description Displacement of [3H]-prazosin from human alpha1A adrenergic receptor transfected in COS1 cells | Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic alpha1B (Homo sapiens (Human)) | BDBM10452 (Bivalent 4-Aminoquinoline 9f | N,N-di-4-Quinolyl-1...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 148 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
25288493 Curated by ChEMBL | Assay Description Binding affinity to human alpha1B adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor | Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic alpha1B (Homo sapiens (Human)) | BDBM10452 (Bivalent 4-Aminoquinoline 9f | N,N-di-4-Quinolyl-1...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 148 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
25288493 Curated by ChEMBL | Assay Description Displacement of [3H]-prazosin from human alpha1B adrenergic receptor transfected in COS1 cells | Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1D adrenergic receptor (Homo sapiens (Human)) | BDBM10452 (Bivalent 4-Aminoquinoline 9f | N,N-di-4-Quinolyl-1...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 309 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
25288493 Curated by ChEMBL | Assay Description Displacement of [3H]-prazosin from human alpha1D adrenergic receptor transfected in COS1 cells | Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1D adrenergic receptor (Homo sapiens (Human)) | BDBM10452 (Bivalent 4-Aminoquinoline 9f | N,N-di-4-Quinolyl-1...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 309 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
25288493 Curated by ChEMBL | Assay Description Binding affinity to human alpha1D adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor | Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM10452 (Bivalent 4-Aminoquinoline 9f | N,N-di-4-Quinolyl-1...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 832 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
25288493 Curated by ChEMBL | Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor transfected in COS1 cells | Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM10452 (Bivalent 4-Aminoquinoline 9f | N,N-di-4-Quinolyl-1...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 832 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
25288493 Curated by ChEMBL | Assay Description Binding affinity to human 5HT1A receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor | Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxylic ester hydrolase (Rattus norvegicus (rat)) | BDBM10452 (Bivalent 4-Aminoquinoline 9f | N,N-di-4-Quinolyl-1...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hong Kong University of Science and Technology | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at... | Bioorg Med Chem 7: 2569-75 (1999) Article DOI: 10.1016/s0968-0896(99)00178-9 BindingDB Entry DOI: 10.7270/Q22N50GZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Rattus norvegicus (rat)) | BDBM10452 (Bivalent 4-Aminoquinoline 9f | N,N-di-4-Quinolyl-1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 87.8 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Hong Kong University of Science and Technology | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at... | Bioorg Med Chem 7: 2569-75 (1999) Article DOI: 10.1016/s0968-0896(99)00178-9 BindingDB Entry DOI: 10.7270/Q22N50GZ | |||||||||||
More data for this Ligand-Target Pair |