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BDBM104038 PDI inhibitor P1

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)C=C)cc1)C(=O)NCCC#C

InChI Key: InChIKey=BIZNKQOCZAJFAS-DQEYMECFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 104038   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Protein disulfide-isomerase


(Homo sapiens (Human))		BDBM104038
PNG
(PDI inhibitor P1)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)C=C)cc1)C(=O)NCCC#C |r|
Show InChI InChI=1S/C29H35N3O7S/c1-6-8-18-30-26(33)24(20-22-14-16-23(17-15-22)39-40(36,37)7-2)31-27(34)25(19-21-12-10-9-11-13-21)32-28(35)38-29(3,4)5/h1,7,9-17,24-25H,2,8,18-20H2,3-5H3,(H,30,33)(H,31,34)(H,32,35)/t24-,25-/m0/s1
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MMDB

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Similars
Article
PubMed
n/an/a 1.70E+3n/an/an/an/a7.0n/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
More data for this
Ligand-Target Pair