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Compile Data Set for Download or QSAR

Found 3 hits of ki data for polymerid = 2394   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
alpha-Amylase


(Homo sapiens (human))
BDBM50120853
PNG
(CHEMBL3618492)
Show SMILES C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC[C@H]3OC4(NC(=S)NC4=O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C27H43N3O18S/c1-6-11(28-8-2-7(3-31)12(33)16(37)13(8)34)15(36)19(40)24(45-6)47-21-9(4-32)46-23(20(41)17(21)38)44-5-10-14(35)18(39)22(42)27(48-10)25(43)29-26(49)30-27/h2,6,8-24,28,31-42H,3-5H2,1H3,(H2,29,30,43,49)/t6-,8+,9-,10-,11-,12-,13+,14-,15+,16+,17-,18+,19-,20-,21-,22-,23+,24-,27?/s2
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PC cid
PC sid
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Similars

PubMed
190n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human salivary alpha-amylase using GalG2CNP as substrate assessed as CNP liberation by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50120849
PNG
(CHEMBL3618490)
Show SMILES CC1OC(OC2C(CO)OC(OC3C(O)C(O)C(NC4C(C)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C=C3CO)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1O
Show InChI InChI=1/C38H64N2O25/c1-9-17(39-13-3-11(5-41)19(45)24(50)20(13)46)22(48)30(56)37(60-9)65-34-16(8-44)62-38(31(57)27(34)53)63-32-12(6-42)4-14(21(47)25(32)51)40-18-10(2)59-36(29(55)23(18)49)64-33-15(7-43)61-35(58)28(54)26(33)52/h3-4,9-10,13-58H,5-8H2,1-2H3
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700n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50241052
PNG
(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1
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Patents


Similars

PubMed
2.60E+3n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human salivary alpha-amylase using GalG2CNP as substrate assessed as CNP liberation by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair