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Patent code US9193697

Compile Data Set for Download or QSAR
Found 39 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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM193011
PNG
(US9193697, C6.2)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cc1)C1=CCC(O)CC1 |t:25|
Show InChI InChI=1S/C22H20ClNO3S2/c1-29(26)19-12-4-14(5-13-19)20-22(28-18-10-6-16(23)7-11-18)27-21(24-20)15-2-8-17(25)9-3-15/h2,4-7,10-13,17,25H,3,8-9H2,1H3
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n/an/a 8.68n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192942
PNG
(US9193697, A7.31 and A7.31a)
Show SMILES Clc1ccc(Sc2oc(nc2C2CCNCC2)C2CCOCC2)nc1
Show InChI InChI=1S/C18H22ClN3O2S/c19-14-1-2-15(21-11-14)25-18-16(12-3-7-20-8-4-12)22-17(24-18)13-5-9-23-10-6-13/h1-2,11-13,20H,3-10H2
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n/an/a 2.22E+3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192942
PNG
(US9193697, A7.31 and A7.31a)
Show SMILES Clc1ccc(Sc2oc(nc2C2CCNCC2)C2CCOCC2)nc1
Show InChI InChI=1S/C18H22ClN3O2S/c19-14-1-2-15(21-11-14)25-18-16(12-3-7-20-8-4-12)22-17(24-18)13-5-9-23-10-6-13/h1-2,11-13,20H,3-10H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192928
PNG
(US9193697, A7.17)
Show SMILES COC(=O)N1CCC(CC1)c1nc(c(Sc2ccc(Cl)cn2)o1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C22H22ClN3O4S2/c1-29-22(27)26-11-9-15(10-12-26)20-25-19(14-3-6-17(7-4-14)32(2)28)21(30-20)31-18-8-5-16(23)13-24-18/h3-8,13,15H,9-12H2,1-2H3
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n/an/a 75.1n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192939
PNG
(US9193697, A7.28)
Show SMILES CN1CCN(CCOC(=O)N2CCC(CC2)c2nc(c(Sc3ccc(Cl)cn3)o2)-c2ccc(cc2)S(C)=O)CC1
Show InChI InChI=1S/C28H34ClN5O4S2/c1-32-13-15-33(16-14-32)17-18-37-28(35)34-11-9-21(10-12-34)26-31-25(20-3-6-23(7-4-20)40(2)36)27(38-26)39-24-8-5-22(29)19-30-24/h3-8,19,21H,9-18H2,1-2H3
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n/an/a 3.09E+3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192941
PNG
(US9193697, A7.30)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cn1)C1CCN(CC1)C(=O)OCCNCCO
Show InChI InChI=1S/C25H29ClN4O5S2/c1-37(33)20-5-2-17(3-6-20)22-24(36-21-7-4-19(26)16-28-21)35-23(29-22)18-8-12-30(13-9-18)25(32)34-15-11-27-10-14-31/h2-7,16,18,27,31H,8-15H2,1H3
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n/an/a 2.14E+3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192966
PNG
(US9193697, B5.4)
Show SMILES Clc1ccc(Sc2oc(nc2-c2cnc3[nH]ccc3c2)C2CCOCC2)cc1
Show InChI InChI=1S/C21H18ClN3O2S/c22-16-1-3-17(4-2-16)28-21-18(15-11-14-5-8-23-19(14)24-12-15)25-20(27-21)13-6-9-26-10-7-13/h1-5,8,11-13H,6-7,9-10H2,(H,23,24)
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n/an/a 27.6n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192968
PNG
(US9193697, B5.6)
Show SMILES Clc1ccc(Sc2oc(nc2-c2ccc3ncnn3c2)C2CCOCC2)cc1
Show InChI InChI=1S/C20H17ClN4O2S/c21-15-2-4-16(5-3-15)28-20-18(14-1-6-17-22-12-23-25(17)11-14)24-19(27-20)13-7-9-26-10-8-13/h1-6,11-13H,7-10H2
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n/an/a 118n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192973
PNG
(US9193697, B5.11)
Show SMILES CN(C)c1ncc(cn1)-c1nc(oc1Sc1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C20H21ClN4O2S/c1-25(2)20-22-11-14(12-23-20)17-19(28-16-5-3-15(21)4-6-16)27-18(24-17)13-7-9-26-10-8-13/h3-6,11-13H,7-10H2,1-2H3
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n/an/a 13.1n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192974
PNG
(US9193697, B5.12)
Show SMILES Clc1ccc(Sc2oc(nc2-c2cnc3cc[nH]c3c2)C2CCOCC2)cc1
Show InChI InChI=1S/C21H18ClN3O2S/c22-15-1-3-16(4-2-15)28-21-19(14-11-18-17(24-12-14)5-8-23-18)25-20(27-21)13-6-9-26-10-7-13/h1-5,8,11-13,23H,6-7,9-10H2
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n/an/a 113n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192975
PNG
(US9193697, B5.13)
Show SMILES COC(=O)Cn1cc(cn1)-c1nc(oc1Sc1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C20H20ClN3O4S/c1-26-17(25)12-24-11-14(10-22-24)18-20(29-16-4-2-15(21)3-5-16)28-19(23-18)13-6-8-27-9-7-13/h2-5,10-11,13H,6-9,12H2,1H3
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n/an/a 320n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192976
PNG
(US9193697, B5.14)
Show SMILES [#6][N]1([#6])[#6]-[#6]-[#7](-[#6]-[#6]1)-c1ccc(cn1)-c1nc(oc1-[#16]-c1ccc(Cl)cc1)-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
Show InChI InChI=1S/C25H30ClN4O2S/c1-30(2)13-11-29(12-14-30)22-8-3-19(17-27-22)23-25(33-21-6-4-20(26)5-7-21)32-24(28-23)18-9-15-31-16-10-18/h3-8,17-18H,9-16H2,1-2H3
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n/an/a 9.15E+3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192913
PNG
(US9193697, A7.2)
Show SMILES CS(=O)c1ccc(cn1)-c1nc(oc1Sc1ccc(Cl)cn1)C1CCOCC1
Show InChI InChI=1S/C19H18ClN3O3S2/c1-28(24)16-5-2-13(10-22-16)17-19(27-15-4-3-14(20)11-21-15)26-18(23-17)12-6-8-25-9-7-12/h2-5,10-12H,6-9H2,1H3
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n/an/a 293n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192924
PNG
(US9193697, A7.13)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cn1)C1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C25H28ClN3O4S2/c1-25(2,3)33-24(30)29-13-11-17(12-14-29)22-28-21(16-5-8-19(9-6-16)35(4)31)23(32-22)34-20-10-7-18(26)15-27-20/h5-10,15,17H,11-14H2,1-4H3
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n/an/a 67.5n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192935
PNG
(US9193697, A7.24)
Show SMILES COCCOC(=O)N1CCC(CC1)c1nc(c(Sc2ccc(Cl)cn2)o1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C24H26ClN3O5S2/c1-31-13-14-32-24(29)28-11-9-17(10-12-28)22-27-21(16-3-6-19(7-4-16)35(2)30)23(33-22)34-20-8-5-18(25)15-26-20/h3-8,15,17H,9-14H2,1-2H3
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n/an/a 201n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM193010
PNG
(US9193697, C6.1)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cc1)C1=CCCCC1 |t:25|
Show InChI InChI=1S/C22H20ClNO2S2/c1-28(25)19-13-7-15(8-14-19)20-22(27-18-11-9-17(23)10-12-18)26-21(24-20)16-5-3-2-4-6-16/h5,7-14H,2-4,6H2,1H3
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n/an/a 11.9n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192925
PNG
(US9193697, A7.14)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)c1nc(c(Sc2ccc(Cl)cn2)o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C25H28ClN3O5S2/c1-25(2,3)34-24(30)29-13-11-17(12-14-29)22-28-21(16-5-8-19(9-6-16)36(4,31)32)23(33-22)35-20-10-7-18(26)15-27-20/h5-10,15,17H,11-14H2,1-4H3
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n/an/a 65.3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192936
PNG
(US9193697, A7.25)
Show SMILES COCCOCC(=O)N1CCC(CC1)c1nc(c(Sc2ccc(Cl)cn2)o1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C25H28ClN3O5S2/c1-32-13-14-33-16-22(30)29-11-9-18(10-12-29)24-28-23(17-3-6-20(7-4-17)36(2)31)25(34-24)35-21-8-5-19(26)15-27-21/h3-8,15,18H,9-14,16H2,1-2H3
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n/an/a 525n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM193012
PNG
(US9193697, C6.3)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cc1)C1=CCOCC1 |t:25|
Show InChI InChI=1S/C21H18ClNO3S2/c1-28(24)18-8-2-14(3-9-18)19-21(27-17-6-4-16(22)5-7-17)26-20(23-19)15-10-12-25-13-11-15/h2-10H,11-13H2,1H3
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n/an/a 15.9n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192927
PNG
(US9193697, A7.16)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cn1)C1CCNCC1
Show InChI InChI=1S/C20H20ClN3O3S2/c1-29(25,26)16-5-2-13(3-6-16)18-20(28-17-7-4-15(21)12-23-17)27-19(24-18)14-8-10-22-11-9-14/h2-7,12,14,22H,8-11H2,1H3
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n/an/a 925n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192938
PNG
(US9193697, A7.27)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cn1)C1CCN(CC1)C(=O)OCCN1CCOCC1
Show InChI InChI=1S/C27H31ClN4O5S2/c1-39(34)22-5-2-19(3-6-22)24-26(38-23-7-4-21(28)18-29-23)37-25(30-24)20-8-10-32(11-9-20)27(33)36-17-14-31-12-15-35-16-13-31/h2-7,18,20H,8-17H2,1H3
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n/an/a 482n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192940
PNG
(US9193697, A7.29)
Show SMILES CN(C)CCOC(=O)N1CCC(CC1)c1nc(c(Sc2ccc(Cl)cn2)o1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C25H29ClN4O4S2/c1-29(2)14-15-33-25(31)30-12-10-18(11-13-30)23-28-22(17-4-7-20(8-5-17)36(3)32)24(34-23)35-21-9-6-19(26)16-27-21/h4-9,16,18H,10-15H2,1-3H3
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n/an/a 1.91E+3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192969
PNG
(US9193697, B5.7)
Show SMILES Cn1nnc2ccc(cc12)-c1nc(oc1Sc1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C21H19ClN4O2S/c1-26-18-12-14(2-7-17(18)24-25-26)19-21(29-16-5-3-15(22)4-6-16)28-20(23-19)13-8-10-27-11-9-13/h2-7,12-13H,8-11H2,1H3
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n/an/a 92.2n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192926
PNG
(US9193697, A7.15)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cn1)C1CCNCC1
Show InChI InChI=1S/C20H20ClN3O2S2/c1-28(25)16-5-2-13(3-6-16)18-20(27-17-7-4-15(21)12-23-17)26-19(24-18)14-8-10-22-11-9-14/h2-7,12,14,22H,8-11H2,1H3
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n/an/a 1.42E+3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192963
PNG
(US9193697, B5.1)
Show SMILES CC(C)(O)c1ccc(cn1)-c1nc(oc1Sc1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C22H23ClN2O3S/c1-22(2,26)18-8-3-15(13-24-18)19-21(29-17-6-4-16(23)5-7-17)28-20(25-19)14-9-11-27-12-10-14/h3-8,13-14,26H,9-12H2,1-2H3
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n/an/a 17.9n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192970
PNG
(US9193697, B5.8)
Show SMILES Clc1ccc(Sc2oc(nc2-c2cn[nH]c2)C2CCOCC2)cc1
Show InChI InChI=1S/C17H16ClN3O2S/c18-13-1-3-14(4-2-13)24-17-15(12-9-19-20-10-12)21-16(23-17)11-5-7-22-8-6-11/h1-4,9-11H,5-8H2,(H,19,20)
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n/an/a 146n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192977
PNG
(US9193697, B5.15)
Show SMILES Clc1ccc(Sc2oc(nc2C2=CCCNC2)C2CCOCC2)cc1 |t:12|
Show InChI InChI=1S/C19H21ClN2O2S/c20-15-3-5-16(6-4-15)25-19-17(14-2-1-9-21-12-14)22-18(24-19)13-7-10-23-11-8-13/h2-6,13,21H,1,7-12H2
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n/an/a 4.53E+3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192931
PNG
(US9193697, A7.20)
Show SMILES CN1CCC(CC1)c1nc(c(Sc2ccc(Cl)cn2)o1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C21H22ClN3O2S2/c1-25-11-9-15(10-12-25)20-24-19(14-3-6-17(7-4-14)29(2)26)21(27-20)28-18-8-5-16(22)13-23-18/h3-8,13,15H,9-12H2,1-2H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192932
PNG
(US9193697, A7.21)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cn1)C1CCN(CC1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C27H24ClN3O4S2/c1-37(33)22-10-7-18(8-11-22)24-26(36-23-12-9-20(28)17-29-23)35-25(30-24)19-13-15-31(16-14-19)27(32)34-21-5-3-2-4-6-21/h2-12,17,19H,13-16H2,1H3
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n/an/a 25.9n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192933
PNG
(US9193697, A7.22)
Show SMILES CC(C)OC(=O)N1CCC(CC1)c1nc(c(Sc2ccc(Cl)cn2)o1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C24H26ClN3O4S2/c1-15(2)31-24(29)28-12-10-17(11-13-28)22-27-21(16-4-7-19(8-5-16)34(3)30)23(32-22)33-20-9-6-18(25)14-26-20/h4-9,14-15,17H,10-13H2,1-3H3
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n/an/a 45.8n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192964
PNG
(US9193697, B5.2)
Show SMILES Clc1ccc(Sc2oc(nc2-c2ccc3[nH]ncc3c2)C2CCOCC2)cc1
Show InChI InChI=1S/C21H18ClN3O2S/c22-16-2-4-17(5-3-16)28-21-19(14-1-6-18-15(11-14)12-23-25-18)24-20(27-21)13-7-9-26-10-8-13/h1-6,11-13H,7-10H2,(H,23,25)
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n/an/a 4.19n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192929
PNG
(US9193697, A7.18)
Show SMILES CC(=O)N1CCC(CC1)c1nc(c(Sc2ccc(Cl)cn2)o1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C22H22ClN3O3S2/c1-14(27)26-11-9-16(10-12-26)21-25-20(15-3-6-18(7-4-15)31(2)28)22(29-21)30-19-8-5-17(23)13-24-19/h3-8,13,16H,9-12H2,1-2H3
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n/an/a 839n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192930
PNG
(US9193697, A7.19)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cn1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C21H22ClN3O4S3/c1-31(26)17-6-3-14(4-7-17)19-21(30-18-8-5-16(22)13-23-18)29-20(24-19)15-9-11-25(12-10-15)32(2,27)28/h3-8,13,15H,9-12H2,1-2H3
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n/an/a 287n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192934
PNG
(US9193697, A7.23)
Show SMILES CCOC(=O)N1CCC(CC1)c1nc(c(Sc2ccc(Cl)cn2)o1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C23H24ClN3O4S2/c1-3-30-23(28)27-12-10-16(11-13-27)21-26-20(15-4-7-18(8-5-15)33(2)29)22(31-21)32-19-9-6-17(24)14-25-19/h4-9,14,16H,3,10-13H2,1-2H3
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n/an/a 61.7n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192937
PNG
(US9193697, A7.26)
Show SMILES COCCOCCOCC(=O)N1CCC(CC1)c1nc(c(Sc2ccc(Cl)cn2)o1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C27H32ClN3O6S2/c1-34-13-14-35-15-16-36-18-24(32)31-11-9-20(10-12-31)26-30-25(19-3-6-22(7-4-19)39(2)33)27(37-26)38-23-8-5-21(28)17-29-23/h3-8,17,20H,9-16,18H2,1-2H3
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n/an/a 748n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192965
PNG
(US9193697, B5.3)
Show SMILES Clc1ccc(Sc2oc(nc2-c2ccc(nc2)N2CCOCC2)C2CCOCC2)cc1
Show InChI InChI=1S/C23H24ClN3O3S/c24-18-2-4-19(5-3-18)31-23-21(26-22(30-23)16-7-11-28-12-8-16)17-1-6-20(25-15-17)27-9-13-29-14-10-27/h1-6,15-16H,7-14H2
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n/an/a 12.8n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192967
PNG
(US9193697, B5.5)
Show SMILES Clc1ccc(Sc2oc(nc2-c2cnn(CC3OCCO3)c2)C2CCOCC2)cc1
Show InChI InChI=1S/C21H22ClN3O4S/c22-16-1-3-17(4-2-16)30-21-19(24-20(29-21)14-5-7-26-8-6-14)15-11-23-25(12-15)13-18-27-9-10-28-18/h1-4,11-12,14,18H,5-10,13H2
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n/an/a 255n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192971
PNG
(US9193697, B5.9)
Show SMILES Clc1ccc(Sc2oc(nc2-c2ccc(nc2)N2CCNCC2)C2CCOCC2)cc1
Show InChI InChI=1S/C23H25ClN4O2S/c24-18-2-4-19(5-3-18)31-23-21(27-22(30-23)16-7-13-29-14-8-16)17-1-6-20(26-15-17)28-11-9-25-10-12-28/h1-6,15-16,25H,7-14H2
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n/an/a 9.61n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM192972
PNG
(US9193697, B5.10)
Show SMILES Clc1ccc(Sc2oc(nc2-c2cnc3[nH]ncc3c2)C2CCOCC2)cc1
Show InChI InChI=1S/C20H17ClN4O2S/c21-15-1-3-16(4-2-15)28-20-17(13-9-14-11-23-25-18(14)22-10-13)24-19(27-20)12-5-7-26-8-6-12/h1-4,9-12H,5-8H2,(H,22,23,25)
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n/an/a 67.6n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolam...

US Patent US9193697 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z46
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%