BDBM47374 2-[7-[butyl(methyl)amino]-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]malononitrile::2-[7-[butyl(methyl)amino]-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile::UNM000011096501::cid_4076033
SMILES: [#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6]-1=[#6]-[#6]-2=[#6]\[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1)=[#6](/C#N)C#N
InChI Key: InChIKey=AVEFSPOGHCMTSQ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human)) | BDBM47374 (2-[7-[butyl(methyl)amino]-4,4a,5,6-tetrahydro-3H-n...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 4.42E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2416VFN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa) | BDBM47374 (2-[7-[butyl(methyl)amino]-4,4a,5,6-tetrahydro-3H-n...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.07E+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/Q2HT2MRM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
beta-lactamase (Salmonella enterica subsp. enterica serovar Choler...) | BDBM47374 (2-[7-[butyl(methyl)amino]-4,4a,5,6-tetrahydro-3H-n...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.47E+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/Q2NG4P3G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta lactamase (Pseudomonas aeruginosa) | BDBM47374 (2-[7-[butyl(methyl)amino]-4,4a,5,6-tetrahydro-3H-n...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.07E+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/Q2S75DSB | |||||||||||
More data for this Ligand-Target Pair |