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SMILES: Cl.C[C@]1(COCCCCOC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)C(O)=O)NCc1ccccc1

InChI Key: InChIKey=SKMDUFZCXKMVHX-GTYIZLDDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50198901   
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
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM50198901
PNG
(CHEMBL3982549)
Show SMILES Cl.C[C@]1(COCCCCOC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)C(O)=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C25H36N4O7.ClH/c1-25(27-14-18-8-3-2-4-9-18)17-36-13-6-5-12-35-16-19(23(32)33)28-22(31)20-10-7-11-29(20)21(30)15-26-24(25)34;/h2-4,8-9,19-20,27H,5-7,10-17H2,1H3,(H,26,34)(H,28,31)(H,32,33);1H/t19-,20-,25+;/m0./s1
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Article
PubMed
n/an/an/a>6.00E+5n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay

Bioorg Med Chem Lett 26: 5304-5307 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.039
BindingDB Entry DOI: 10.7270/Q2TX3HCN
More data for this
Ligand-Target Pair