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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 = 'BDBM50123746'   
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))		BDBM50123746
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)CCCC(=O)OCCF)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/C64H114FN11O14/c1-24-44-60(85)70(17)34-49(77)71(18)45(30-35(2)3)57(82)69-51(39(10)11)63(88)72(19)46(31-36(4)5)56(81)66-42(15)55(80)67-43(16)59(84)73(20)47(32-37(6)7)61(86)74(21)48(33-38(8)9)62(87)75(22)52(40(12)13)64(89)76(23)53(58(83)68-44)54(79)41(14)26-25-27-50(78)90-29-28-65/h35-48,51-54,79H,24-34H2,1-23H3,(H,66,81)(H,67,80)(H,68,83)(H,69,82)/t41-,42-,43+,44-,45+,46-,47+,48+,51+,52-,53+,54-/m1/s1
PDB

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Similars
Article
PubMed
n/an/a 1.54E+3n/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