BDBM30722 MLS000068755::N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]quinoxalinyl)-2-chlorobenzamide::N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-2-chloranyl-benzamide::N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-2-chloro-benzamide::N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)-2-chlorobenzamide::SMR000039762::US9045483, 2::cid_658797
SMILES: CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
InChI Key: InChIKey=ABIGPTDIQKRVCS-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM30722 (MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.88E+4 | n/a | n/a | 7.4 | 23 |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q21N7ZG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SUMO-activating enzyme (Homo sapiens (Human)) | BDBM30722 (MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
City of Hope; Sanford-Burnham Medical Research Institute US Patent | Assay Description Through the Molecular Library Probe Production Center Network (MLPCN), at least 300,000 compounds were screened using a TR-FRET method, an ALPHASCREE... | US Patent US9045483 (2015) BindingDB Entry DOI: 10.7270/Q20R9N48 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM30722 (MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 6.15E+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 (2009) BindingDB Entry DOI: 10.7270/Q25T3HXW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Valosin-containing protein (Homo sapiens (Human)) | BDBM30722 (MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2P26WJQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ubiquitin-conjugating enzyme E2I (Homo sapiens (Human)) | BDBM30722 (MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 890 | 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)) | BDBM30722 (MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) | 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 | 2.82E+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 (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2BP0175 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human)) | BDBM30722 (MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.99E+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 (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MS3R7H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SUMO-1-specific protease (Homo sapiens (Human)) | BDBM30722 (MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 986 | 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/Q27H1H10 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human)) | BDBM30722 (MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+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 (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2C827R9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM30722 (MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) | 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 | 1.22E+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/Q2RJ4GZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptotic peptidase activating factor 1 (Homo sapiens (Human)) | BDBM30722 (MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) | 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 | 1.37E+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 (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)) | BDBM30722 (MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) | 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 | |||||||||||||
Caspase-9 (Homo sapiens (Human)) | BDBM30722 (MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) | 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 | 1.20E+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 (SBIMR, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human)) | BDBM30722 (MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.76E+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 | |||||||||||||
Valosin-containing protein (Homo sapiens (Human)) | BDBM30722 (MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2513WMG | |||||||||||
More data for this Ligand-Target Pair |