BDBM86373 Juniferdin derivative, 4

SMILES: CC(=O)Oc1ccc(cc1)C(=O)OC1C\C=C(C)\CCCC(C)(C)[C@H](O)\C=C1/C

InChI Key: InChIKey=LSDICXYPPJEUGV-JCDVWMPLSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 86373   

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
Protein Disulfide-Isomerase (PDI) (Homo sapiens (Human))	BDBM86373 (Juniferdin derivative, 4) Show SMILES CC(=O)Oc1ccc(cc1)C(=O)OC1C\C=C(C)\CCCC(C)(C)[C@H](O)\C=C1/C |r,c:16,t:27| Show InChI InChI=1S/C24H32O5/c1-16-7-6-14-24(4,5)22(26)15-17(2)21(13-8-16)29-23(27)19-9-11-20(12-10-19)28-18(3)25/h8-12,15,21-22,26H,6-7,13-14H2,1-5H3/b16-8+,17-15+/t21?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	627	n/a	n/a	n/a	n/a	7.0	n/a
RIKEN Advanced Science Institute					Assay Description Reductase activity was assayed by measuring the PDI-catalyzed reduction of insulin in the presence of DTT, thus measuring the aggregation of reduced ...				ACS Chem Biol 6: 245-51 (2011) Article DOI: 10.1021/cb100387r BindingDB Entry DOI: 10.7270/Q27W69S2
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