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Patent code US9156848

Compile Data Set for Download or QSAR
Found 4 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
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM185583
PNG
(US9156848, 4)
Show SMILES C[C@@]1(CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C25H27F2N5O5S/c1-25(10-21(28)23(37-15-25)19-9-18(26)7-8-20(19)27)31-11-17-12-32(29-22(17)13-31)38(34,35)30-24(33)36-14-16-5-3-2-4-6-16/h2-9,12,21,23H,10-11,13-15,28H2,1H3,(H,30,33)/t21-,23+,25+/m0/s1
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US Patent
n/an/a 8.80n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as inhibitors of dipeptidyl peptidase-IV enzyme activity may be demonstrated by...

US Patent US9156848 (2015)


BindingDB Entry DOI: 10.7270/Q28K77VQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM185580
PNG
(US9156848, 1)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N=S(C)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C24H27F2N5O4S2/c1-15-3-6-19(7-4-15)37(33,34)29-36(2,32)31-12-16-11-30(13-23(16)28-31)18-10-22(27)24(35-14-18)20-9-17(25)5-8-21(20)26/h3-9,12,18,22,24H,10-11,13-14,27H2,1-2H3/t18-,22+,24-,36?/m1/s1
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n/an/a 18.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as inhibitors of dipeptidyl peptidase-IV enzyme activity may be demonstrated by...

US Patent US9156848 (2015)


BindingDB Entry DOI: 10.7270/Q28K77VQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM185581
PNG
(US9156848, 2)
Show SMILES C[C@@]1(CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F)N1Cc2c[nH]nc2C1 |r|
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n/an/a 34.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as inhibitors of dipeptidyl peptidase-IV enzyme activity may be demonstrated by...

US Patent US9156848 (2015)


BindingDB Entry DOI: 10.7270/Q28K77VQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM185582
PNG
(US9156848, 3)
Show SMILES C[C@@]1(CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H22F2N4O3S/c1-18(23-7-11-8-24(28(2,25)26)22-16(11)9-23)6-15(21)17(27-10-18)13-5-12(19)3-4-14(13)20/h3-5,8,15,17H,6-7,9-10,21H2,1-2H3/t15-,17+,18+/m0/s1
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US Patent
n/an/a 37n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as inhibitors of dipeptidyl peptidase-IV enzyme activity may be demonstrated by...

US Patent US9156848 (2015)


BindingDB Entry DOI: 10.7270/Q28K77VQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%