BDBM83224 (3E)-3-(2-thenylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-(isobutylamino)-2-keto-ethyl] ester::(3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester::MLS000392696::SMR000261646::[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate::[2-(2-methylpropylamino)-2-oxoethyl] (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate::cid_5825928
SMILES: CC(C)CNC(=O)COC(=O)c1c2CC\C(=C/c3cccs3)c2nc2ccccc12
InChI Key: InChIKey=ZPXDLVQNDXZTEY-FOWTUZBSSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta lactamase (Pseudomonas aeruginosa) | BDBM83224 ((3E)-3-(2-thenylidene)-1,2-dihydrocyclopenta[b]qui...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.52E+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) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2G15ZB8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Toll-like receptor 9 (Homo sapiens (Human)) | BDBM83224 ((3E)-3-(2-thenylidene)-1,2-dihydrocyclopenta[b]qui...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.95E+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) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2KS6Q2P | |||||||||||
More data for this Ligand-Target Pair |