BDBM104047 PDI inhibitor P10

SMILES: C=CS(=O)(=O)Oc1ccc(C[C@H](NC(=O)C2(CC2)c2ccccc2)C(=O)NCC#C)cc1

InChI Key: InChIKey=LBQCLWJMLPMWKA-NRFANRHFSA-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 = 104047   

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))	BDBM104047 (PDI inhibitor P10) Show SMILES C=CS(=O)(=O)Oc1ccc(C[C@H](NC(=O)C2(CC2)c2ccccc2)C(=O)NCC#C)cc1 |r| Show InChI InChI=1S/C24H24N2O5S/c1-3-16-25-22(27)21(17-18-10-12-20(13-11-18)31-32(29,30)4-2)26-23(28)24(14-15-24)19-8-6-5-7-9-19/h1,4-13,21H,2,14-17H2,(H,25,27)(H,26,28)/t21-/m0/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	2.10E+3	n/a	n/a	n/a	n/a	7.0	n/a
National University of Singapore					Assay Description The assay was carried out in 384-well plates according to literature procedures [46]. Each well contained 100mM sodium phosphate and 0.2mM EDTA pH 7...				ACS Chem Biol 8: 2577-85 (2013) Article DOI: 10.1021/cb4002602 BindingDB Entry DOI: 10.7270/Q2805180
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