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Compile Data Set for Download or QSAR

Found 2815 hits with Last Name = 'zhong' and Initial = 'w'   
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
Golgi alpha-mannosidase II


(Drosophila melanogaster (Fruit fly))
BDBM50078117
PNG
((1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTAN...)
Show SMILES CS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
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36n/an/an/an/an/an/an/an/a



University of Toronto



Assay Description
The rate of hydrolysis catalyzed by drosophila golgi alpha-mannosidase II (dGMII)and in the presence of different concentration of inhibitor was meas...


Chembiochem 10: 268-77 (2009)


Article DOI: 10.1002/cbic.200800538
BindingDB Entry DOI: 10.7270/Q2DZ06T7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Golgi alpha-mannosidase II


(Drosophila melanogaster (Fruit fly))
BDBM50088625
PNG
((1R,2R,3R,4S,5R)-4-Amino-5-methoxy-cyclopentane-1,...)
Show SMILES CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO4/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
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76n/an/an/an/an/an/an/an/a



University of Toronto



Assay Description
The rate of hydrolysis catalyzed by drosophila golgi alpha-mannosidase II (dGMII)and in the presence of different concentration of inhibitor was meas...


Chembiochem 10: 268-77 (2009)


Article DOI: 10.1002/cbic.200800538
BindingDB Entry DOI: 10.7270/Q2DZ06T7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Golgi alpha-mannosidase II


(Drosophila melanogaster (Fruit fly))
BDBM84614
PNG
(Mannostatin B, 2)
Show SMILES CS(=O)[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO4S/c1-12(11)6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+,12?/m0/s1
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150n/an/an/an/an/an/an/an/a



University of Toronto



Assay Description
The rate of hydrolysis catalyzed by drosophila golgi alpha-mannosidase II (dGMII)and in the presence of different concentration of inhibitor was meas...


Chembiochem 10: 268-77 (2009)


Article DOI: 10.1002/cbic.200800538
BindingDB Entry DOI: 10.7270/Q2DZ06T7
More data for this
Ligand-Target Pair
Golgi alpha-mannosidase II


(Drosophila melanogaster (Fruit fly))
BDBM84615
PNG
(Mannostatin analogue, 4a)
Show SMILES N[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C5H11NO4/c6-1-2(7)4(9)5(10)3(1)8/h1-5,7-10H,6H2/t1-,2-,3-,4+,5-/m1/s1
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300n/an/an/an/an/an/an/an/a



University of Toronto



Assay Description
The rate of hydrolysis catalyzed by drosophila golgi alpha-mannosidase II (dGMII)and in the presence of different concentration of inhibitor was meas...


Chembiochem 10: 268-77 (2009)


Article DOI: 10.1002/cbic.200800538
BindingDB Entry DOI: 10.7270/Q2DZ06T7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50032737
PNG
(CHEMBL3354718)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCOCC1)-c1cccnc1F
Show InChI InChI=1S/C25H19F2N3O3/c26-20-12-16(14-5-8-31-9-6-14)11-19-22(20)33-21-4-3-15(17-2-1-7-29-23(17)27)10-18(21)25(19)13-32-24(28)30-25/h1-5,7,10-12H,6,8-9,13H2,(H2,28,30)/t25-/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061587
PNG
(CHEMBL3394051)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CC[C@@H](F)C1)-c1cccnc1F
Show InChI InChI=1S/C23H19F2N5O2/c24-14-5-7-30(11-14)20-9-17-19(10-28-20)32-18-4-3-13(15-2-1-6-27-21(15)25)8-16(18)23(17)12-31-22(26)29-23/h1-4,6,8-10,14H,5,7,11-12H2,(H2,26,29)/t14-,23+/m1/s1
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7.80E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061595
PNG
(CHEMBL3394042)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1CCOCC1)-c1cccnc1F
Show InChI InChI=1S/C24H21FN4O3/c25-22-16(2-1-7-27-22)15-3-4-20-17(10-15)24(13-31-23(26)29-24)18-11-19(28-12-21(18)32-20)14-5-8-30-9-6-14/h1-4,7,10-12,14H,5-6,8-9,13H2,(H2,26,29)/t24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061594
PNG
(CHEMBL3394041)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1=CCCOC1)-c1cccnc1F
Show InChI InChI=1S/C24H19FN4O3/c25-22-16(4-1-7-27-22)14-5-6-20-17(9-14)24(13-31-23(26)29-24)18-10-19(28-11-21(18)32-20)15-3-2-8-30-12-15/h1,3-7,9-11H,2,8,12-13H2,(H2,26,29)/t24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061593
PNG
(CHEMBL3394040)
Show SMILES CC1(C)OCCC(=C1)c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1
Show InChI InChI=1S/C26H23FN4O3/c1-25(2)12-16(7-9-33-25)20-11-19-22(13-30-20)34-21-6-5-15(17-4-3-8-29-23(17)27)10-18(21)26(19)14-32-24(28)31-26/h3-6,8,10-13H,7,9,14H2,1-2H3,(H2,28,31)/t26-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061582
PNG
(CHEMBL3394039)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1=CCOCC1)-c1cccnc1F
Show InChI InChI=1S/C24H19FN4O3/c25-22-16(2-1-7-27-22)15-3-4-20-17(10-15)24(13-31-23(26)29-24)18-11-19(28-12-21(18)32-20)14-5-8-30-9-6-14/h1-5,7,10-12H,6,8-9,13H2,(H2,26,29)/t24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061581
PNG
(CHEMBL3394058)
Show SMILES NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cccnc1F)C1=CCOCC1
Show InChI InChI=1S/C25H20FN3O3/c26-23-18(2-1-9-28-23)17-4-6-22-20(13-17)25(14-31-24(27)29-25)19-12-16(3-5-21(19)32-22)15-7-10-30-11-8-15/h1-7,9,12-13H,8,10-11,14H2,(H2,27,29)/t25-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061580
PNG
(CHEMBL3394057)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F
Show InChI InChI=1S/C24H15F2N5O2/c25-21-9-14(5-7-28-21)18-10-17-20(11-30-18)33-19-4-3-13(15-2-1-6-29-22(15)26)8-16(19)24(17)12-32-23(27)31-24/h1-11H,12H2,(H2,27,31)/t24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061598
PNG
(CHEMBL3394045)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)[C@H]1CCCCO1)-c1cccnc1F
Show InChI InChI=1S/C24H21FN4O3/c25-22-15(4-3-8-27-22)14-6-7-19-16(10-14)24(13-31-23(26)29-24)17-11-18(28-12-21(17)32-19)20-5-1-2-9-30-20/h3-4,6-8,10-12,20H,1-2,5,9,13H2,(H2,26,29)/t20-,24+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061592
PNG
(CHEMBL3394056)
Show SMILES Cc1cc(ccn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1
Show InChI InChI=1S/C25H18FN5O2/c1-14-9-16(6-8-28-14)20-11-19-22(12-30-20)33-21-5-4-15(17-3-2-7-29-23(17)26)10-18(21)25(19)13-32-24(27)31-25/h2-12H,13H2,1H3,(H2,27,31)/t25-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061591
PNG
(CHEMBL3394055)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccncc1)-c1cccnc1F
Show InChI InChI=1S/C24H16FN5O2/c25-22-16(2-1-7-28-22)15-3-4-20-17(10-15)24(13-31-23(26)30-24)18-11-19(29-12-21(18)32-20)14-5-8-27-9-6-14/h1-12H,13H2,(H2,26,30)/t24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061590
PNG
(CHEMBL3394054)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1cccnc1)-c1cccnc1F
Show InChI InChI=1S/C24H16FN5O2/c25-22-16(4-2-8-28-22)14-5-6-20-17(9-14)24(13-31-23(26)30-24)18-10-19(29-12-21(18)32-20)15-3-1-7-27-11-15/h1-12H,13H2,(H2,26,30)/t24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061583
PNG
(CHEMBL3394047)
Show SMILES CC1(C)CN(CCO1)c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1
Show InChI InChI=1S/C25H24FN5O3/c1-24(2)13-31(8-9-33-24)21-11-18-20(12-29-21)34-19-6-5-15(16-4-3-7-28-22(16)26)10-17(19)25(18)14-32-23(27)30-25/h3-7,10-12H,8-9,13-14H2,1-2H3,(H2,27,30)/t25-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061584
PNG
(CHEMBL3394048)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F
Show InChI InChI=1S/C24H20F3N5O2/c25-21-15(2-1-7-29-21)14-3-4-18-16(10-14)24(13-33-22(28)31-24)17-11-20(30-12-19(17)34-18)32-8-5-23(26,27)6-9-32/h1-4,7,10-12H,5-6,8-9,13H2,(H2,28,31)/t24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061585
PNG
(CHEMBL3394049)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CCC(F)(F)C1)-c1cccnc1F
Show InChI InChI=1S/C23H18F3N5O2/c24-20-14(2-1-6-28-20)13-3-4-17-15(8-13)23(12-32-21(27)30-23)16-9-19(29-10-18(16)33-17)31-7-5-22(25,26)11-31/h1-4,6,8-10H,5,7,11-12H2,(H2,27,30)/t23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061586
PNG
(CHEMBL3394050)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CC[C@H](F)C1)-c1cccnc1F
Show InChI InChI=1S/C23H19F2N5O2/c24-14-5-7-30(11-14)20-9-17-19(10-28-20)32-18-4-3-13(15-2-1-6-27-21(15)25)8-16(18)23(17)12-31-22(26)29-23/h1-4,6,8-10,14H,5,7,11-12H2,(H2,26,29)/t14-,23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061588
PNG
(CHEMBL3394052)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccccc1)-c1cccnc1F
Show InChI InChI=1S/C25H17FN4O2/c26-23-17(7-4-10-28-23)16-8-9-21-18(11-16)25(14-31-24(27)30-25)19-12-20(29-13-22(19)32-21)15-5-2-1-3-6-15/h1-13H,14H2,(H2,27,30)/t25-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061589
PNG
(CHEMBL3394053)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccccn1)-c1cccnc1F
Show InChI InChI=1S/C24H16FN5O2/c25-22-15(4-3-9-28-22)14-6-7-20-16(10-14)24(13-31-23(26)30-24)17-11-19(29-12-21(17)32-20)18-5-1-2-8-27-18/h1-12H,13H2,(H2,26,30)/t24-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50410390
PNG
(CHEMBL1161754)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CP(O)(=O)OP(O)(=O)OP(O)(O)O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H18N5O12P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-28(18,19)26-30(23,24)27-29(20,21)22/h2-4,6-7,10,16-17,20-22,29H,1H2,(H,18,19)(H,23,24)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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2.01E+5n/an/an/an/an/an/an/an/a



Valeant Pharmaceuticals International

Curated by ChEMBL


Assay Description
Inhibition constant against ATP binding towards Hepatitis C Virus NS5BRdRp


J Med Chem 48: 2867-75 (2005)


Article DOI: 10.1021/jm049029u
BindingDB Entry DOI: 10.7270/Q2BK1DKJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50410391
PNG
(CHEMBL1161753)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](OCP(O)(=O)OP(O)(=O)OP(O)(O)O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H20N5O12P3/c12-10-7-11(14-2-13-10)16(3-15-7)5-1-6(9(18)8(5)17)26-4-29(19,20)27-31(24,25)28-30(21,22)23/h2-3,5-6,8-9,17-18,21-23,30H,1,4H2,(H,19,20)(H,24,25)(H2,12,13,14)/t5-,6+,8+,9-/m1/s1
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2.29E+5n/an/an/an/an/an/an/an/a



Valeant Pharmaceuticals International

Curated by ChEMBL


Assay Description
Inhibition constant against ATP binding towards Hepatitis C Virus NS5BRdRp


J Med Chem 48: 2867-75 (2005)


Article DOI: 10.1021/jm049029u
BindingDB Entry DOI: 10.7270/Q2BK1DKJ
More data for this
Ligand-Target Pair
Golgi alpha-mannosidase II


(Drosophila melanogaster (Fruit fly))
BDBM50088627
PNG
((1S,2S,3R,4R)-4-Amino-cyclopentane-1,2,3-triol | (...)
Show SMILES N[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C5H11NO3/c6-2-1-3(7)5(9)4(2)8/h2-5,7-9H,1,6H2/t2-,3+,4-,5+/m1/s1
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2.65E+5n/an/an/an/an/an/an/an/a



University of Toronto



Assay Description
The rate of hydrolysis catalyzed by drosophila golgi alpha-mannosidase II (dGMII)and in the presence of different concentration of inhibitor was meas...


Chembiochem 10: 268-77 (2009)


Article DOI: 10.1002/cbic.200800538
BindingDB Entry DOI: 10.7270/Q2DZ06T7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50410392
PNG
(CHEMBL1161773)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CCP(O)(=O)OP(O)(=O)OP(O)(O)O)O[C@H]1n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H22N5O12P3/c1-12(19)8(18)6(2-3-30(20,21)28-32(25,26)29-31(22,23)24)27-11(12)17-5-16-7-9(13)14-4-15-10(7)17/h4-6,8,11,18-19,22-24,31H,2-3H2,1H3,(H,20,21)(H,25,26)(H2,13,14,15)/t6-,8-,11-,12-/m1/s1
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3.27E+5n/an/an/an/an/an/an/an/a



Valeant Pharmaceuticals International

Curated by ChEMBL


Assay Description
Inhibition constant against ATP binding towards Hepatitis C Virus NS5BRdRp


J Med Chem 48: 2867-75 (2005)


Article DOI: 10.1021/jm049029u
BindingDB Entry DOI: 10.7270/Q2BK1DKJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM267012
PNG
(2-(3-(3-(2,2-dimethyl-3,6- dihydro-2H-pyran-4-yl)p...)
Show SMILES CC1(C)OCCC(=C1)c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N4O/c1-23(2)13-17(9-12-28-23)21-22(25-11-10-24-21)18-14-27(15-18)20-8-7-16-5-3-4-6-19(16)26-20/h3-8,10-11,13,18H,9,12,14-15H2,1-2H3
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n/an/a 0.00100n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 L of serial diluted PDE10A (BPS Bioscien...


US Patent US9718803 (2017)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM146707
PNG
(US8957073, 4.41 | US9718803, 4.41)
Show SMILES C1C(CN1c1ccc2ccccc2n1)c1nccnc1C1=CCOCC1
Show InChI InChI=1S/C21H20N4O/c1-2-4-18-15(3-1)5-6-19(24-18)25-13-17(14-25)21-20(22-9-10-23-21)16-7-11-26-12-8-16/h1-7,9-10,17H,8,11-14H2
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n/an/a 0.00100n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 L of serial diluted PDE10A (BPS Bioscien...


US Patent US9718803 (2017)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM146708
PNG
(US8957073, 4.42)
Show SMILES CC1(C)CC(=CCO1)c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N4O/c1-23(2)13-17(9-12-28-23)21-22(25-11-10-24-21)18-14-27(15-18)20-8-7-16-5-3-4-6-19(16)26-20/h3-11,18H,12-15H2,1-2H3
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n/an/a 0.00100n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
Enzyme Activity. An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 uL of serial diluted PD...


US Patent US8957073 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7TPZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM146672
PNG
(US8957073, 4.6 | US9718803, 4.6)
Show SMILES COc1ccc(c(OC)n1)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H21N5O2/c1-29-20-10-8-17(23(27-20)30-2)22-21(24-11-12-25-22)16-13-28(14-16)19-9-7-15-5-3-4-6-18(15)26-19/h3-12,16H,13-14H2,1-2H3
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n/an/a 0.00100n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 L of serial diluted PDE10A (BPS Bioscien...


US Patent US9718803 (2017)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM47146
PNG
(US8957073, 4.14 | US8957073, 4.45 | US9718803, 4.4...)
Show SMILES COc1cccc(n1)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C22H19N5O/c1-28-20-8-4-7-18(26-20)22-21(23-11-12-24-22)16-13-27(14-16)19-10-9-15-5-2-3-6-17(15)25-19/h2-12,16H,13-14H2,1H3
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n/an/a 0.00100n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 L of serial diluted PDE10A (BPS Bioscien...


US Patent US9718803 (2017)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM47146
PNG
(US8957073, 4.14 | US8957073, 4.45 | US9718803, 4.4...)
Show SMILES COc1cccc(n1)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C22H19N5O/c1-28-20-8-4-7-18(26-20)22-21(23-11-12-24-22)16-13-27(14-16)19-10-9-15-5-2-3-6-17(15)25-19/h2-12,16H,13-14H2,1H3
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Amgen Inc.

US Patent


Assay Description
An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 L of serial diluted PDE10A (BPS Bioscien...


US Patent US9718803 (2017)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM146707
PNG
(US8957073, 4.41 | US9718803, 4.41)
Show SMILES C1C(CN1c1ccc2ccccc2n1)c1nccnc1C1=CCOCC1
Show InChI InChI=1S/C21H20N4O/c1-2-4-18-15(3-1)5-6-19(24-18)25-13-17(14-25)21-20(22-9-10-23-21)16-7-11-26-12-8-16/h1-7,9-10,17H,8,11-14H2
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n/an/a 0.00110n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
Enzyme Activity. An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 uL of serial diluted PD...


US Patent US8957073 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7TPZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM47146
PNG
(US8957073, 4.14 | US8957073, 4.45 | US9718803, 4.4...)
Show SMILES COc1cccc(n1)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C22H19N5O/c1-28-20-8-4-7-18(26-20)22-21(23-11-12-24-22)16-13-27(14-16)19-10-9-15-5-2-3-6-17(15)25-19/h2-12,16H,13-14H2,1H3
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n/an/a 0.00120n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
Enzyme Activity. An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 uL of serial diluted PD...


US Patent US8957073 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7TPZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM47146
PNG
(US8957073, 4.14 | US8957073, 4.45 | US9718803, 4.4...)
Show SMILES COc1cccc(n1)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C22H19N5O/c1-28-20-8-4-7-18(26-20)22-21(23-11-12-24-22)16-13-27(14-16)19-10-9-15-5-2-3-6-17(15)25-19/h2-12,16H,13-14H2,1H3
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n/an/a 0.00120n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
Enzyme Activity. An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 uL of serial diluted PD...


US Patent US8957073 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7TPZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM47147
PNG
(US8957073, 4.28 | US8957073, 4.44 | US9718803, 4.4...)
Show SMILES Fc1cc(cc(c1)C(F)(F)F)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H16F4N4/c24-18-10-15(9-17(11-18)23(25,26)27)21-22(29-8-7-28-21)16-12-31(13-16)20-6-5-14-3-1-2-4-19(14)30-20/h1-11,16H,12-13H2
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n/an/a 0.00122n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
Enzyme Activity. An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 uL of serial diluted PD...


US Patent US8957073 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7TPZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM146672
PNG
(US8957073, 4.6 | US9718803, 4.6)
Show SMILES COc1ccc(c(OC)n1)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H21N5O2/c1-29-20-10-8-17(23(27-20)30-2)22-21(24-11-12-25-22)16-13-28(14-16)19-9-7-15-5-3-4-6-18(15)26-19/h3-12,16H,13-14H2,1-2H3
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n/an/a 0.00135n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
Enzyme Activity. An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 uL of serial diluted PD...


US Patent US8957073 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7TPZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM146687
PNG
(US8957073, 4.21 | US9718803, 4.21)
Show SMILES Cc1cc(ccc1Cl)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H19ClN4/c1-15-12-17(6-8-19(15)24)22-23(26-11-10-25-22)18-13-28(14-18)21-9-7-16-4-2-3-5-20(16)27-21/h2-12,18H,13-14H2,1H3
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n/an/a 0.00200n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 L of serial diluted PDE10A (BPS Bioscien...


US Patent US9718803 (2017)

More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50320369
PNG
((R)-(3-methyl-4-(4-(4-(trifluoromethyl)phenyl)phth...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(F)(F)F)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C27H23F3N4O/c1-18-17-33(26(35)20-7-3-2-4-8-20)15-16-34(18)25-23-10-6-5-9-22(23)24(31-32-25)19-11-13-21(14-12-19)27(28,29)30/h2-14,18H,15-17H2,1H3/t18-/m1/s1
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PubMed
n/an/a 0.00200n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene ...


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM146689
PNG
(US8957073, 4.23 | US9718803, 4.23)
Show SMILES Oc1ccc(cc1Cl)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C22H17ClN4O/c23-17-11-15(5-7-19(17)28)21-22(25-10-9-24-21)16-12-27(13-16)20-8-6-14-3-1-2-4-18(14)26-20/h1-11,16,28H,12-13H2
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n/an/a 0.00200n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 L of serial diluted PDE10A (BPS Bioscien...


US Patent US9718803 (2017)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM146667
PNG
(US8957073, 4.1 | US9718803, 4.1)
Show SMILES COc1ncccc1-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C22H19N5O/c1-28-22-17(6-4-10-25-22)21-20(23-11-12-24-21)16-13-27(14-16)19-9-8-15-5-2-3-7-18(15)26-19/h2-12,16H,13-14H2,1H3
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n/an/a 0.00200n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 L of serial diluted PDE10A (BPS Bioscien...


US Patent US9718803 (2017)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM146687
PNG
(US8957073, 4.21 | US9718803, 4.21)
Show SMILES Cc1cc(ccc1Cl)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H19ClN4/c1-15-12-17(6-8-19(15)24)22-23(26-11-10-25-22)18-13-28(14-18)21-9-7-16-4-2-3-5-20(16)27-21/h2-12,18H,13-14H2,1H3
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n/an/a 0.00230n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
Enzyme Activity. An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 uL of serial diluted PD...


US Patent US8957073 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7TPZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM146689
PNG
(US8957073, 4.23 | US9718803, 4.23)
Show SMILES Oc1ccc(cc1Cl)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C22H17ClN4O/c23-17-11-15(5-7-19(17)28)21-22(25-10-9-24-21)16-12-27(13-16)20-8-6-14-3-1-2-4-18(14)26-20/h1-11,16,28H,12-13H2
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n/an/a 0.00230n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
Enzyme Activity. An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 uL of serial diluted PD...


US Patent US8957073 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7TPZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM146667
PNG
(US8957073, 4.1 | US9718803, 4.1)
Show SMILES COc1ncccc1-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C22H19N5O/c1-28-22-17(6-4-10-25-22)21-20(23-11-12-24-21)16-13-27(14-16)19-9-8-15-5-2-3-7-18(15)26-19/h2-12,16H,13-14H2,1H3
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n/an/a 0.00234n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
Enzyme Activity. An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 uL of serial diluted PD...


US Patent US8957073 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7TPZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM146677
PNG
(US8957073, 4.11 | US9718803, 4.11)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H20N4O2S/c1-30(28,29)19-9-6-17(7-10-19)22-23(25-13-12-24-22)18-14-27(15-18)21-11-8-16-4-2-3-5-20(16)26-21/h2-13,18H,14-15H2,1H3
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n/an/a 0.00262n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
Enzyme Activity. An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 uL of serial diluted PD...


US Patent US8957073 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7TPZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM146678
PNG
(US8957073, 4.12 | US9718803, 4.12)
Show SMILES Nc1ccc(cn1)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C21H18N6/c22-18-7-5-15(11-25-18)20-21(24-10-9-23-20)16-12-27(13-16)19-8-6-14-3-1-2-4-17(14)26-19/h1-11,16H,12-13H2,(H2,22,25)
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n/an/a 0.00278n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
Enzyme Activity. An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 uL of serial diluted PD...


US Patent US8957073 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7TPZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM146668
PNG
(US8957073, 4.2 | US9718803, 4.2)
Show SMILES Cc1ccc(cn1)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C22H19N5/c1-15-6-7-17(12-25-15)21-22(24-11-10-23-21)18-13-27(14-18)20-9-8-16-4-2-3-5-19(16)26-20/h2-12,18H,13-14H2,1H3
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n/an/a 0.00279n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
Enzyme Activity. An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 uL of serial diluted PD...


US Patent US8957073 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7TPZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM146668
PNG
(US8957073, 4.2 | US9718803, 4.2)
Show SMILES Cc1ccc(cn1)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C22H19N5/c1-15-6-7-17(12-25-15)21-22(24-11-10-23-21)18-13-27(14-18)20-9-8-16-4-2-3-5-19(16)26-20/h2-12,18H,13-14H2,1H3
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n/an/a 0.00300n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 L of serial diluted PDE10A (BPS Bioscien...


US Patent US9718803 (2017)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM146677
PNG
(US8957073, 4.11 | US9718803, 4.11)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H20N4O2S/c1-30(28,29)19-9-6-17(7-10-19)22-23(25-13-12-24-22)18-14-27(15-18)21-11-8-16-4-2-3-5-20(16)26-21/h2-13,18H,14-15H2,1H3
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n/an/a 0.00300n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 L of serial diluted PDE10A (BPS Bioscien...


US Patent US9718803 (2017)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM146678
PNG
(US8957073, 4.12 | US9718803, 4.12)
Show SMILES Nc1ccc(cn1)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C21H18N6/c22-18-7-5-15(11-25-18)20-21(24-10-9-23-20)16-12-27(13-16)19-8-6-14-3-1-2-4-17(14)26-19/h1-11,16H,12-13H2,(H2,22,25)
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n/an/a 0.00300n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 L of serial diluted PDE10A (BPS Bioscien...


US Patent US9718803 (2017)

More data for this
Ligand-Target Pair
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