BDBM50236447 CHEMBL4069817
SMILES: CCn1c(cc2sccc12)C(=O)Nc1cccc(COC)c1COc1ccc(OC[C@@H]2CCNC2)cc1
InChI Key: InChIKey=XTIUXFVWQDSKHY-HXUWFJFHSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM50236447 (CHEMBL4069817) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology Curated by ChEMBL | Assay Description Inhibition of recombinant human MAOB incubated for 15 mins measured after 30 mins by luminescence-Glo assay | J Med Chem 60: 1693-1715 (2017) Article DOI: 10.1021/acs.jmedchem.6b01019 BindingDB Entry DOI: 10.7270/Q22809VX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
LSD1/CoREST complex (Homo sapiens (Human)) | BDBM50236447 (CHEMBL4069817) | PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology Curated by ChEMBL | Assay Description Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub... | J Med Chem 60: 1693-1715 (2017) Article DOI: 10.1021/acs.jmedchem.6b01019 BindingDB Entry DOI: 10.7270/Q22809VX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM50236447 (CHEMBL4069817) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 4.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology Curated by ChEMBL | Assay Description Inhibition of recombinant human MAOA incubated for 15 mins measured after 30 mins by luminescence-Glo assay | J Med Chem 60: 1693-1715 (2017) Article DOI: 10.1021/acs.jmedchem.6b01019 BindingDB Entry DOI: 10.7270/Q22809VX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysine-specific histone demethylase 1B (Homo sapiens (Human)) | BDBM50236447 (CHEMBL4069817) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology Curated by ChEMBL | Assay Description Inhibition of KDM1B (unknown origin) | J Med Chem 60: 1693-1715 (2017) Article DOI: 10.1021/acs.jmedchem.6b01019 BindingDB Entry DOI: 10.7270/Q22809VX | |||||||||||
More data for this Ligand-Target Pair |