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PubMed code 28994286

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50242191
PNG
(CHEMBL4083511)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)[C@]2([H])C(=O)C=C2[C@@]1(C)CC[C@@]1([H])C(C)(C)C(OCc3ccc(NC(=O)CC[C@H](N)C(=O)OC)cc3)=C(C#N)[C@H](O)[C@]21C)C(=O)OC |r,c:19,t:51|
Show InChI InChI=1S/C45H61N3O8/c1-40(2)18-20-45(39(53)55-9)21-19-43(6)35(29(45)23-40)31(49)22-33-42(43,5)17-16-32-41(3,4)37(28(24-46)36(51)44(32,33)7)56-25-26-10-12-27(13-11-26)48-34(50)15-14-30(47)38(52)54-8/h10-13,22,29-30,32,35-36,51H,14-21,23,25,47H2,1-9H3,(H,48,50)/t29-,30-,32-,35-,36-,42+,43+,44-,45-/m0/s1
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Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Crystal Pharmatech Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of K+ stimulated gastric ATPase


J Med Chem 60: 8847-8857 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00971
BindingDB Entry DOI: 10.7270/Q2QV3PWT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM217379
PNG
(CDDO-Me, 2)
Show SMILES COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |r,t:16,20|
Show InChI InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1
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Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Crystal Pharmatech Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of K+ stimulated gastric ATPase


J Med Chem 60: 8847-8857 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00971
BindingDB Entry DOI: 10.7270/Q2QV3PWT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%