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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein phosphatase 3 catalytic subunit alpha' and Ligand = 'BDBM50123748'   
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
Protein phosphatase 3 catalytic subunit alpha


(Homo sapiens (Human))		BDBM50123748
PNG
(6-(5-Ethyl-11,17,26,29-tetraisobutyl-14,32-diisopr...)
Show SMILES CC[C@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C(=O)OC)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)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C63H111N11O14/c1-25-43-59(83)68(17)33-48(75)69(18)44(29-34(2)3)56(80)67-50(38(10)11)62(86)70(19)45(30-35(4)5)55(79)64-41(15)54(78)65-42(16)58(82)71(20)46(31-36(6)7)60(84)72(21)47(32-37(8)9)61(85)73(22)51(39(12)13)63(87)74(23)52(57(81)66-43)53(77)40(14)27-26-28-49(76)88-24/h26,28,34-47,50-53,77H,25,27,29-33H2,1-24H3,(H,64,79)(H,65,78)(H,66,81)(H,67,80)/b28-26+/t40-,41-,42+,43-,44+,45-,46+,47+,50+,51-,52+,53-/m1/s1
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PubMed
n/an/a 581n/an/an/an/an/an/a



Enanta Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity in a calcineurin inhibition assay

J Med Chem 46: 674-6 (2003)


Article DOI: 10.1021/jm025595i
BindingDB Entry DOI: 10.7270/Q2QJ7GNM
More data for this
Ligand-Target Pair