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BDBM61232 (2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyisoquinolin-1-yl)methanone::(2-bromo-4,5-dimethoxy-phenyl)-(6,7-dimethoxy-1-isoquinolyl)methanone::(2-bromo-4,5-dimethoxyphenyl)(6,7-dimethoxy-1-isoquinolinyl)methanone::(2-bromo-4,5-dimethoxyphenyl)-(6,7-dimethoxy-1-isoquinolinyl)methanone::(2-bromo-4,5-dimethoxyphenyl)-(6,7-dimethoxyisoquinolin-1-yl)methanone::MLS001001832::SMR000498332::cid_2974206
SMILES: COc1cc(Br)c(cc1OC)C(=O)c1nccc2cc(OC)c(OC)cc12
InChI Key: InChIKey=KNIHFXMFUCCLGH-UHFFFAOYSA-N
Data: 13 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ubiquitin-conjugating enzyme E2I (Homo sapiens (Human)) | BDBM61232 ((2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyis...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet  | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2V986G8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| SUMO1 activating enzyme subunit 1 (Homo sapiens (Human)) | BDBM61232 ((2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyis...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2BP0175 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| protein phosphatase 1, catalytic subunit, alpha isoform 3 (Homo sapiens (Human)) | BDBM61232 ((2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyis...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q27M06CD | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| PPP5C protein (Homo sapiens (Human)) | BDBM61232 ((2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyis...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23T9FN4 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| photoreceptor-specific nuclear receptor (Homo sapiens (Human)) | BDBM61232 ((2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyis...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >3.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2D21W22 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| nuclear receptor corepressor 2 isoform 2 (Homo sapiens (Human)) | BDBM61232 ((2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyis...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >3.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q28914BQ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human)) | BDBM61232 ((2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyis...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2WS8RXV | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Apoptotic peptidase activating factor 1 (Homo sapiens (Human)) | BDBM61232 ((2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyis...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JS9NZB | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Apoptotic peptidase activating factor 1 (Homo sapiens (Human)) | BDBM61232 ((2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyis...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2F18X8S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human)) | BDBM61232 ((2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyis...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 377 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2JM2870 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Caspase-3 (Homo sapiens (Human)) | BDBM61232 ((2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyis...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 407 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2930RSV | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human)) | BDBM61232 ((2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyis...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 377 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2P849HJ | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Caspase-9 (Homo sapiens (Human)) | BDBM61232 ((2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyis...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
