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Patent code US10227310

Compile Data Set for Download or QSAR
Found 6 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
Ghrelin O-acyltransferase


(Homo sapiens (Human))
BDBM367610
PNG
(N-[(1S)-2-[4-[2- (4-Amino-2- chloro-6-methyl- pyri...)
Show SMILES C[C@H](NC(=O)c1cn[nH]c1C)C(=O)N1CCC(CCc2c(C)nc(Cl)nc2N)CC1
Show InChI InChI=1/C20H28ClN7O2/c1-11-15(17(22)26-20(21)25-11)5-4-14-6-8-28(9-7-14)19(30)13(3)24-18(29)16-10-23-27-12(16)2/h10,13-14H,4-9H2,1-3H3,(H,23,27)(H,24,29)(H2,22,25,26)/t13-/s2
UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 54.4n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Prepare test compounds in DMSO to make up a 0.2 mM stock solution. Serially dilute the stock solution in DMSO for ten concentrations with final compo...


US Patent US10227310 (2019)

More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Homo sapiens (Human))
BDBM367613
PNG
(N-[(1S)-2-[4-[2-(4-Amino-6-chloro-2-methyl-pyrimid...)
Show SMILES C[C@H](NC(=O)c1ccnn1C)C(=O)N1CCC(CCc2c(N)nc(C)nc2Cl)CC1
Show InChI InChI=1/C20H28ClN7O2/c1-12(24-19(29)16-6-9-23-27(16)3)20(30)28-10-7-14(8-11-28)4-5-15-17(21)25-13(2)26-18(15)22/h6,9,12,14H,4-5,7-8,10-11H2,1-3H3,(H,24,29)(H2,22,25,26)/t12-/s2
UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 68.9n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Prepare test compounds in DMSO to make up a 0.2 mM stock solution. Serially dilute the stock solution in DMSO for ten concentrations with final compo...


US Patent US10227310 (2019)

More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Homo sapiens (Human))
BDBM367612
PNG
(N-[(1S)-2-[4-[2-(4-Amino-6-chloro-2-methyl-pyrimid...)
Show SMILES C[C@H](NC(=O)c1cnc(C)s1)C(=O)N1CCC(CCc2c(N)nc(C)nc2Cl)CC1
Show InChI InChI=1/C20H27ClN6O2S/c1-11(24-19(28)16-10-23-13(3)30-16)20(29)27-8-6-14(7-9-27)4-5-15-17(21)25-12(2)26-18(15)22/h10-11,14H,4-9H2,1-3H3,(H,24,28)(H2,22,25,26)/t11-/s2
UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 96.4n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Prepare test compounds in DMSO to make up a 0.2 mM stock solution. Serially dilute the stock solution in DMSO for ten concentrations with final compo...


US Patent US10227310 (2019)

More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Homo sapiens (Human))
BDBM367615
PNG
(Methyl N-[(1S)-2-[4-[2-(4-amino-6-chloro-2-methyl-...)
Show SMILES COC(=O)N[C@@H](C)C(=O)N1CCC(CCc2c(N)nc(C)nc2Cl)CC1
Show InChI InChI=1/C17H26ClN5O3/c1-10(20-17(25)26-3)16(24)23-8-6-12(7-9-23)4-5-13-14(18)21-11(2)22-15(13)19/h10,12H,4-9H2,1-3H3,(H,20,25)(H2,19,21,22)/t10-/s2
UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 149n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Prepare test compounds in DMSO to make up a 0.2 mM stock solution. Serially dilute the stock solution in DMSO for ten concentrations with final compo...


US Patent US10227310 (2019)

More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Homo sapiens (Human))
BDBM367614
PNG
(N-[(1S)-2-[4-[2-(4-Amino-6-chloro-2-methyl-pyrimid...)
Show SMILES C[C@H](NC(C)=O)C(=O)N1CCC(CCc2c(N)nc(C)nc2Cl)CC1
Show InChI InChI=1/C17H26ClN5O2/c1-10(20-12(3)24)17(25)23-8-6-13(7-9-23)4-5-14-15(18)21-11(2)22-16(14)19/h10,13H,4-9H2,1-3H3,(H,20,24)(H2,19,21,22)/t10-/s2
UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 170n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Prepare test compounds in DMSO to make up a 0.2 mM stock solution. Serially dilute the stock solution in DMSO for ten concentrations with final compo...


US Patent US10227310 (2019)

More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Homo sapiens (Human))
BDBM367611
PNG
(N-[(1S)-2-[(4R,S)- 4-[2-(4-Amino-6- chloro-2-methy...)
Show SMILES C[C@H](NC(=O)c1ccncc1)C(=O)N1CCCC(CCc2c(N)nc(C)nc2Cl)CC1
Show InChI InChI=1/C22H29ClN6O2/c1-14(26-21(30)17-7-10-25-11-8-17)22(31)29-12-3-4-16(9-13-29)5-6-18-19(23)27-15(2)28-20(18)24/h7-8,10-11,14,16H,3-6,9,12-13H2,1-2H3,(H,26,30)(H2,24,27,28)/t14-,16?/s2
UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 574n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Prepare test compounds in DMSO to make up a 0.2 mM stock solution. Serially dilute the stock solution in DMSO for ten concentrations with final compo...


US Patent US10227310 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%