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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase A' and Ligand = 'BDBM50136480'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50136480
PNG
(CHEMBL3038081 | Cyclosporin A analogue)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](SCCN(C)C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C66H120N12O12S/c1-27-29-30-43(15)54(79)53-58(83)69-46(28-2)60(85)78(26)66(91-32-31-71(18)19)65(90)73(21)48(34-38(5)6)57(82)70-51(41(11)12)63(88)72(20)47(33-37(3)4)56(81)67-44(16)55(80)68-45(17)59(84)74(22)49(35-39(7)8)61(86)75(23)50(36-40(9)10)62(87)76(24)52(42(13)14)64(89)77(53)25/h27,29,37-54,66,79H,28,30-36H2,1-26H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b29-27+/t43-,44+,45-,46+,47+,48+,49+,50+,51+,52+,53+,54-,66-/m1/s1
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MMDB

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PubMed
n/an/a 47n/an/an/an/an/an/a



Centre de Recherche de Paris

Curated by ChEMBL


Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells.

Bioorg Med Chem Lett 13: 4415-9 (2003)


BindingDB Entry DOI: 10.7270/Q2183715
More data for this
Ligand-Target Pair