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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 = 'BDBM50123741'   
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))		BDBM50123741
PNG
(6-(5-Ethyl-11,17,26,29-tetraisobutyl-14,32-diisopr...)
Show SMILES CCOC(=O)CCC[C@@H](C)[C@@H](O)[C@@H]1N(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)C(=O)[C@@H](CC)NC1=O)C(C)C
Show InChI InChI=1S/C64H115N11O14/c1-25-44-60(84)69(18)34-49(76)70(19)45(30-35(3)4)57(81)68-51(39(11)12)63(87)71(20)46(31-36(5)6)56(80)65-42(16)55(79)66-43(17)59(83)72(21)47(32-37(7)8)61(85)73(22)48(33-38(9)10)62(86)74(23)52(40(13)14)64(88)75(24)53(58(82)67-44)54(78)41(15)28-27-29-50(77)89-26-2/h35-48,51-54,78H,25-34H2,1-24H3,(H,65,80)(H,66,79)(H,67,82)(H,68,81)/t41-,42-,43+,44-,45+,46-,47+,48+,51+,52-,53+,54-/m1/s1
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Similars
Article
PubMed
n/an/a 840n/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