BDBM33822 2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylbenzoic acid::2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzoic acid::2-[(2-keto-2-morpholino-ethyl)thio]benzoic acid::2-[[2-(4-morpholinyl)-2-oxoethyl]thio]benzoic acid::2-{[2-(4-morpholinyl)-2-oxoethyl]thio}benzoic acid::CHEMBL396324::MLS000862372::SMR000300822::cid_1249560
SMILES: OC(=O)c1ccccc1SCC(=O)N1CCOCC1
InChI Key: InChIKey=BPCHMUBDRHYFIM-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human)) | BDBM33822 (2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | >3.70E+6 | n/a | n/a | n/a | n/a | n/a |
and University of California at San Diego Curated by ChEMBL | Assay Description Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry | J Med Chem 50: 6607-17 (2007) Article DOI: 10.1021/jm0707424 BindingDB Entry DOI: 10.7270/Q2TT4QPH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM33822 (2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 7.5 | 23 |
PCMD Curated by PubChem BioAssay | Assay Description HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K64GDN | |||||||||||
More data for this Ligand-Target Pair |