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

Data: 1 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 33822   

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...) Show SMILES OC(=O)c1ccccc1SCC(=O)N1CCOCC1 Show InChI InChI=1S/C13H15NO4S/c15-12(14-5-7-18-8-6-14)9-19-11-4-2-1-3-10(11)13(16)17/h1-4H,5-9H2,(H,16,17)	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...) Show SMILES OC(=O)c1ccccc1SCC(=O)N1CCOCC1 Show InChI InChI=1S/C13H15NO4S/c15-12(14-5-7-18-8-6-14)9-19-11-4-2-1-3-10(11)13(16)17/h1-4H,5-9H2,(H,16,17)	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