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Patent code US9328124

Compile Data Set for Download or QSAR
Found 3 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
Beta-secretase 1 [1-460]


(Homo sapiens (Human))		BDBM224809
PNG
(US9328124, 12)
Show SMILES CC(C)(O)c1nc(ncc1F)N1C[C@H]2CSC(N)=N[C@]2(C1)c1ccc(F)cn1 |r,c:18|
Show InChI InChI=1S/C18H20F2N6OS/c1-17(2,27)14-12(20)6-23-16(24-14)26-7-10-8-28-15(21)25-18(10,9-26)13-4-3-11(19)5-22-13/h3-6,10,27H,7-9H2,1-2H3,(H2,21,25)/t10-,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 73.4n/an/an/an/a4.625



Eli Lilly and Company

US Patent


Assay Description
Ten μL of each dilution is added to each well on row A to H of a corresponding low protein binding black plate containing the reaction mixture (25...

US Patent US9328124 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M66
More data for this
Ligand-Target Pair
Beta-secretase 1 [1-460]


(Homo sapiens (Human))		BDBM224810
PNG
(US9328124, 15)
Show SMILES CC(C)(O)c1nc(ncc1F)N1C[C@H]2CSC(N)=N[C@]2(C1)c1cccnc1 |r,c:18|
Show InChI InChI=1S/C18H21FN6OS/c1-17(2,26)14-13(19)7-22-16(23-14)25-8-12-9-27-15(20)24-18(12,10-25)11-4-3-5-21-6-11/h3-7,12,26H,8-10H2,1-2H3,(H2,20,24)/t12-,18+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 93.5n/an/an/an/a4.625



Eli Lilly and Company

US Patent


Assay Description
Ten μL of each dilution is added to each well on row A to H of a corresponding low protein binding black plate containing the reaction mixture (25...

US Patent US9328124 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M66
More data for this
Ligand-Target Pair
Beta-secretase 1 [1-460]


(Homo sapiens (Human))		BDBM224808
PNG
(US9328124, 8)
Show SMILES CC(C)(O)c1nc(ncc1F)N1C[C@H]2CSC(N)=[N]([C@H]2C1)c1cnccn1 |r,c:18|
Show InChI InChI=1S/C17H21FN7OS/c1-17(2,26)14-11(18)5-22-16(23-14)24-7-10-9-27-15(19)25(12(10)8-24)13-6-20-3-4-21-13/h3-6,10,12,26H,7-9,19H2,1-2H3/t10-,12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 105n/an/an/an/a4.625



Eli Lilly and Company

US Patent


Assay Description
Ten μL of each dilution is added to each well on row A to H of a corresponding low protein binding black plate containing the reaction mixture (25...

US Patent US9328124 (2016)


BindingDB Entry DOI: 10.7270/Q2KH0M66
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%