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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'N-acylneuraminate-9-phosphatase'   
Target
(Institution)
LigandTarget
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
N-acylneuraminate-9-phosphatase


(Homo sapiens)
BDBM50436923
PNG
(CHEMBL2402022)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C12H22NO11P/c1-5(14)13-8-7(16)4-12(20,11(18)19)24-10(8)9(17)6(15)2-3-25(21,22)23/h6-10,15-17,20H,2-4H2,1H3,(H,13,14)(H,18,19)(H2,21,22,23)/t6-,7+,8-,9-,10-,12+/m1/s1
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Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant HDHD4 (unknown origin) using Neu5Ac-9-P as substrate assessed as release of phosphate after 30 mins by maiachite...


Citation and Details
More data for this
Ligand-Target Pair
N-acylneuraminate-9-phosphatase


(Homo sapiens)
BDBM50436926
PNG
(CHEMBL2402114)
Show SMILES CO[C@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C13H24NO11P/c1-6(15)14-9-8(17)5-13(24-2,12(19)20)25-11(9)10(18)7(16)3-4-26(21,22)23/h7-11,16-18H,3-5H2,1-2H3,(H,14,15)(H,19,20)(H2,21,22,23)/t7-,8+,9-,10-,11-,13+/m1/s1
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PubMed
n/an/a 4.98E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDHD4 (unknown origin) using Neu5Ac-9-P as substrate assessed as release of phosphate after 30 mins by maiachite green assa...


Citation and Details
More data for this
Ligand-Target Pair
N-acylneuraminate-9-phosphatase


(Homo sapiens)
BDBM50436925
PNG
(CHEMBL3037907)
Show SMILES COC(=O)[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CCP(O)(O)=O)OC
Show InChI InChI=1S/C14H26NO11P/c1-7(16)15-10-9(18)6-14(25-3,13(20)24-2)26-12(10)11(19)8(17)4-5-27(21,22)23/h8-12,17-19H,4-6H2,1-3H3,(H,15,16)(H2,21,22,23)/t8-,9+,10-,11-,12-,14+/m1/s1
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n/an/a 9.37E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDHD4 (unknown origin) using Neu5Ac-9-P as substrate assessed as release of phosphate after 30 mins by maiachite green assa...


Citation and Details
More data for this
Ligand-Target Pair
N-acylneuraminate-9-phosphatase


(Homo sapiens)
BDBM50436924
PNG
(CHEMBL2402116)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)4-13(23,12(21)22)24-11(9)10(20)6(16)2-3-8(18)19/h6-7,9-11,16-17,20,23H,2-4H2,1H3,(H,14,15)(H,18,19)(H,21,22)/t6-,7+,9-,10-,11-,13+/m1/s1
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDHD4 (unknown origin) using Neu5Ac-9-P as substrate assessed as release of phosphate after 30 mins by maiachite green assa...


Citation and Details
More data for this
Ligand-Target Pair