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Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'choi' and Initial = 'mj'   
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
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50506637
PNG
(CHEMBL4476226)
Show SMILES CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C27H30F3N7O3S/c1-18(38)35-11-13-36(14-12-35)21-9-7-20(8-10-21)32-26-31-15-23(27(28,29)30)25(33-26)37-16-19-5-4-6-24(22(19)17-37)34(2)41(3,39)40/h4-10,15H,11-14,16-17H2,1-3H3,(H,31,32,33)
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n/an/a<0.5n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human AXL using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay


Bioorg Med Chem Lett 28: 3761-3765 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.013
BindingDB Entry DOI: 10.7270/Q23T9MHD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50506637
PNG
(CHEMBL4476226)
Show SMILES CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C27H30F3N7O3S/c1-18(38)35-11-13-36(14-12-35)21-9-7-20(8-10-21)32-26-31-15-23(27(28,29)30)25(33-26)37-16-19-5-4-6-24(22(19)17-37)34(2)41(3,39)40/h4-10,15H,11-14,16-17H2,1-3H3,(H,31,32,33)
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n/an/a<0.5n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged recombinant human AXL (473 to end amino acids) expressed by baculovirus in Sf9 cells using axltide substrate and ...


Bioorg Med Chem Lett 28: 3761-3765 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.013
BindingDB Entry DOI: 10.7270/Q23T9MHD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50506648
PNG
(CHEMBL4445940)
Show SMILES CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C25H27F3N6O3S/c1-32(38(2,35)36)22-5-3-4-17-15-34(16-20(17)22)23-21(25(26,27)28)14-29-24(31-23)30-18-6-8-19(9-7-18)33-10-12-37-13-11-33/h3-9,14H,10-13,15-16H2,1-2H3,(H,29,30,31)
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n/an/a 0.940n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged recombinant human AXL (473 to end amino acids) expressed by baculovirus in Sf9 cells using axltide substrate and ...


Bioorg Med Chem Lett 28: 3761-3765 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.013
BindingDB Entry DOI: 10.7270/Q23T9MHD
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50506637
PNG
(CHEMBL4476226)
Show SMILES CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C27H30F3N7O3S/c1-18(38)35-11-13-36(14-12-35)21-9-7-20(8-10-21)32-26-31-15-23(27(28,29)30)25(33-26)37-16-19-5-4-6-24(22(19)17-37)34(2)41(3,39)40/h4-10,15H,11-14,16-17H2,1-3H3,(H,31,32,33)
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n/an/a 3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human AuroraA using [H-LRRASLG] as substrate by [gamma-33P]-ATP assay


Bioorg Med Chem Lett 28: 3761-3765 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.013
BindingDB Entry DOI: 10.7270/Q23T9MHD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50001935
PNG
(CHEMBL3233601)
Show SMILES COc1ccc(cc1)C1=C(C(=O)N(C)C1=O)c1ccc(cc1)S(N)(=O)=O |t:9|
Show InChI InChI=1S/C18H16N2O5S/c1-20-17(21)15(11-3-7-13(25-2)8-4-11)16(18(20)22)12-5-9-14(10-6-12)26(19,23)24/h3-10H,1-2H3,(H2,19,23,24)
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n/an/a 3.10n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged recombinant human AXL (473 to end amino acids) expressed by baculovirus in Sf9 cells using axltide substrate and ...


Bioorg Med Chem Lett 28: 3761-3765 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.013
BindingDB Entry DOI: 10.7270/Q23T9MHD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50506636
PNG
(CHEMBL4445646)
Show SMILES CN(c1cccc2CN(Cc12)c1nc(Nc2ccc3OCOc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H20F3N5O4S/c1-29(35(2,31)32)17-5-3-4-13-10-30(11-15(13)17)20-16(22(23,24)25)9-26-21(28-20)27-14-6-7-18-19(8-14)34-12-33-18/h3-9H,10-12H2,1-2H3,(H,26,27,28)
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n/an/a 4.5n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged recombinant human AXL (473 to end amino acids) expressed by baculovirus in Sf9 cells using axltide substrate and ...


Bioorg Med Chem Lett 28: 3761-3765 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.013
BindingDB Entry DOI: 10.7270/Q23T9MHD
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50506637
PNG
(CHEMBL4476226)
Show SMILES CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C27H30F3N7O3S/c1-18(38)35-11-13-36(14-12-35)21-9-7-20(8-10-21)32-26-31-15-23(27(28,29)30)25(33-26)37-16-19-5-4-6-24(22(19)17-37)34(2)41(3,39)40/h4-10,15H,11-14,16-17H2,1-3H3,(H,31,32,33)
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n/an/a 4.60n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay


Bioorg Med Chem Lett 28: 3761-3765 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.013
BindingDB Entry DOI: 10.7270/Q23T9MHD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50506637
PNG
(CHEMBL4476226)
Show SMILES CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C27H30F3N7O3S/c1-18(38)35-11-13-36(14-12-35)21-9-7-20(8-10-21)32-26-31-15-23(27(28,29)30)25(33-26)37-16-19-5-4-6-24(22(19)17-37)34(2)41(3,39)40/h4-10,15H,11-14,16-17H2,1-3H3,(H,31,32,33)
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n/an/a 5.10n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human SYK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay


Bioorg Med Chem Lett 28: 3761-3765 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.013
BindingDB Entry DOI: 10.7270/Q23T9MHD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50001936
PNG
(CHEMBL3233602)
Show SMILES CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C17H13ClN2O4S/c1-20-16(21)14(10-2-6-12(18)7-3-10)15(17(20)22)11-4-8-13(9-5-11)25(19,23)24/h2-9H,1H3,(H2,19,23,24)
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n/an/a 6n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50029593
PNG
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50001934
PNG
(CHEMBL3233600)
Show SMILES CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:4|
Show InChI InChI=1S/C18H16N2O4S/c1-11-3-5-12(6-4-11)15-16(18(22)20(2)17(15)21)13-7-9-14(10-8-13)25(19,23)24/h3-10H,1-2H3,(H2,19,23,24)
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n/an/a 7.80n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50001936
PNG
(CHEMBL3233602)
Show SMILES CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C17H13ClN2O4S/c1-20-16(21)14(10-2-6-12(18)7-3-10)15(17(20)22)11-4-8-13(9-5-11)25(19,23)24/h2-9H,1H3,(H2,19,23,24)
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n/an/a 8.70n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 8.70n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50506637
PNG
(CHEMBL4476226)
Show SMILES CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C27H30F3N7O3S/c1-18(38)35-11-13-36(14-12-35)21-9-7-20(8-10-21)32-26-31-15-23(27(28,29)30)25(33-26)37-16-19-5-4-6-24(22(19)17-37)34(2)41(3,39)40/h4-10,15H,11-14,16-17H2,1-3H3,(H,31,32,33)
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n/an/a 8.80n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human PLK1 using casein as substrate by [gamma-33P]-ATP assay


Bioorg Med Chem Lett 28: 3761-3765 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.013
BindingDB Entry DOI: 10.7270/Q23T9MHD
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50506637
PNG
(CHEMBL4476226)
Show SMILES CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C27H30F3N7O3S/c1-18(38)35-11-13-36(14-12-35)21-9-7-20(8-10-21)32-26-31-15-23(27(28,29)30)25(33-26)37-16-19-5-4-6-24(22(19)17-37)34(2)41(3,39)40/h4-10,15H,11-14,16-17H2,1-3H3,(H,31,32,33)
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n/an/a 11n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human FAK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay


Bioorg Med Chem Lett 28: 3761-3765 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.013
BindingDB Entry DOI: 10.7270/Q23T9MHD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50001933
PNG
(CHEMBL3233599)
Show SMILES CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:4|
Show InChI InChI=1S/C17H14N2O4S/c1-19-16(20)14(11-5-3-2-4-6-11)15(17(19)21)12-7-9-13(10-8-12)24(18,22)23/h2-10H,1H3,(H2,18,22,23)
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n/an/a 11n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50506637
PNG
(CHEMBL4476226)
Show SMILES CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C27H30F3N7O3S/c1-18(38)35-11-13-36(14-12-35)21-9-7-20(8-10-21)32-26-31-15-23(27(28,29)30)25(33-26)37-16-19-5-4-6-24(22(19)17-37)34(2)41(3,39)40/h4-10,15H,11-14,16-17H2,1-3H3,(H,31,32,33)
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n/an/a 25n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human MER using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay


Bioorg Med Chem Lett 28: 3761-3765 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.013
BindingDB Entry DOI: 10.7270/Q23T9MHD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50001933
PNG
(CHEMBL3233599)
Show SMILES CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:4|
Show InChI InChI=1S/C17H14N2O4S/c1-19-16(20)14(11-5-3-2-4-6-11)15(17(19)21)12-7-9-13(10-8-12)24(18,22)23/h2-10H,1H3,(H2,18,22,23)
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n/an/a 36n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50506637
PNG
(CHEMBL4476226)
Show SMILES CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C27H30F3N7O3S/c1-18(38)35-11-13-36(14-12-35)21-9-7-20(8-10-21)32-26-31-15-23(27(28,29)30)25(33-26)37-16-19-5-4-6-24(22(19)17-37)34(2)41(3,39)40/h4-10,15H,11-14,16-17H2,1-3H3,(H,31,32,33)
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n/an/a 50n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human TYRO3 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay


Bioorg Med Chem Lett 28: 3761-3765 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.013
BindingDB Entry DOI: 10.7270/Q23T9MHD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50001935
PNG
(CHEMBL3233601)
Show SMILES COc1ccc(cc1)C1=C(C(=O)N(C)C1=O)c1ccc(cc1)S(N)(=O)=O |t:9|
Show InChI InChI=1S/C18H16N2O5S/c1-20-17(21)15(11-3-7-13(25-2)8-4-11)16(18(20)22)12-5-9-14(10-6-12)26(19,23)24/h3-10H,1-2H3,(H2,19,23,24)
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n/an/a 53n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 72n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50506657
PNG
(CHEMBL4457670)
Show SMILES COc1cc(Nc2ncc(c(n2)N2Cc3cccc(N(C)S(C)(=O)=O)c3C2)C(F)(F)F)cc(OC)c1
Show InChI InChI=1S/C23H24F3N5O4S/c1-30(36(4,32)33)20-7-5-6-14-12-31(13-18(14)20)21-19(23(24,25)26)11-27-22(29-21)28-15-8-16(34-2)10-17(9-15)35-3/h5-11H,12-13H2,1-4H3,(H,27,28,29)
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n/an/a 80n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged recombinant human AXL (473 to end amino acids) expressed by baculovirus in Sf9 cells using axltide substrate and ...


Bioorg Med Chem Lett 28: 3761-3765 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.013
BindingDB Entry DOI: 10.7270/Q23T9MHD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50001934
PNG
(CHEMBL3233600)
Show SMILES CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:4|
Show InChI InChI=1S/C18H16N2O4S/c1-11-3-5-12(6-4-11)15-16(18(22)20(2)17(15)21)13-7-9-14(10-8-13)25(19,23)24/h3-10H,1-2H3,(H2,19,23,24)
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n/an/a 85n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50001931
PNG
(CHEMBL3233597)
Show SMILES COc1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(cc1)S(N)(=O)=O |t:9|
Show InChI InChI=1S/C17H14N2O5S/c1-24-12-6-2-10(3-7-12)14-15(17(21)19-16(14)20)11-4-8-13(9-5-11)25(18,22)23/h2-9H,1H3,(H2,18,22,23)(H,19,20,21)
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n/an/a 450n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50305810
PNG
(1H-3-(4-sulfamoylphenyl)-4-phenyl-pyrrole-2,5-dion...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(C(=O)NC1=O)c1ccccc1 |t:11|
Show InChI InChI=1S/C16H12N2O4S/c17-23(21,22)12-8-6-11(7-9-12)14-13(15(19)18-16(14)20)10-4-2-1-3-5-10/h1-9H,(H2,17,21,22)(H,18,19,20)
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n/an/a 610n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM82561
PNG
(CAS_40796-97-2 | TROPANYL 3,5-DICHLOROBENZOATE | T...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14+
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n/an/a 770n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte


Bioorg Med Chem 17: 4793-6 (2009)


Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50506649
PNG
(CHEMBL4546231)
Show SMILES COc1cc(ccc1Nc1ncc(c(n1)N1Cc2cccc(N(C)S(C)(=O)=O)c2C1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C28H32F3N7O4S/c1-18(39)36-10-12-37(13-11-36)20-8-9-23(25(14-20)42-3)33-27-32-15-22(28(29,30)31)26(34-27)38-16-19-6-5-7-24(21(19)17-38)35(2)43(4,40)41/h5-9,14-15H,10-13,16-17H2,1-4H3,(H,32,33,34)
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n/an/a 790n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged recombinant human AXL (473 to end amino acids) expressed by baculovirus in Sf9 cells using axltide substrate and ...


Bioorg Med Chem Lett 28: 3761-3765 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.013
BindingDB Entry DOI: 10.7270/Q23T9MHD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50295828
PNG
(3-(4-methoxybenzyl)-2,4-dioxo-N-(2-(piperidin-1-yl...)
Show SMILES COc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCCC2)cc1
Show InChI InChI=1S/C24H28N4O4/c1-32-19-8-5-17(6-9-19)16-28-23(30)20-10-7-18(15-21(20)26-24(28)31)22(29)25-11-14-27-12-3-2-4-13-27/h5-10,15H,2-4,11-14,16H2,1H3,(H,25,29)(H,26,31)
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n/an/a 800n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte


Bioorg Med Chem 17: 4793-6 (2009)


Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 860n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50001930
PNG
(CHEMBL3233596)
Show SMILES Cc1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(cc1)S(N)(=O)=O |t:8|
Show InChI InChI=1S/C17H14N2O4S/c1-10-2-4-11(5-3-10)14-15(17(21)19-16(14)20)12-6-8-13(9-7-12)24(18,22)23/h2-9H,1H3,(H2,18,22,23)(H,19,20,21)
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n/an/a 870n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50506634
PNG
(CHEMBL4441802)
Show SMILES COc1cc(Nc2ncc(c(n2)N2Cc3cccc(N(C)S(C)(=O)=O)c3C2)C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C23H21F6N5O3S/c1-33(38(3,35)36)19-6-4-5-13-11-34(12-17(13)19)20-18(23(27,28)29)10-30-21(32-20)31-15-7-14(22(24,25)26)8-16(9-15)37-2/h4-10H,11-12H2,1-3H3,(H,30,31,32)
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n/an/a 890n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged recombinant human AXL (473 to end amino acids) expressed by baculovirus in Sf9 cells using axltide substrate and ...


Bioorg Med Chem Lett 28: 3761-3765 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.013
BindingDB Entry DOI: 10.7270/Q23T9MHD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50001933
PNG
(CHEMBL3233599)
Show SMILES CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:4|
Show InChI InChI=1S/C17H14N2O4S/c1-19-16(20)14(11-5-3-2-4-6-11)15(17(19)21)12-7-9-13(10-8-12)24(18,22)23/h2-10H,1H3,(H2,18,22,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substr...


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substr...


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50001934
PNG
(CHEMBL3233600)
Show SMILES CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:4|
Show InChI InChI=1S/C18H16N2O4S/c1-11-3-5-12(6-4-11)15-16(18(22)20(2)17(15)21)13-7-9-14(10-8-13)25(19,23)24/h3-10H,1-2H3,(H2,19,23,24)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substr...


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50001935
PNG
(CHEMBL3233601)
Show SMILES COc1ccc(cc1)C1=C(C(=O)N(C)C1=O)c1ccc(cc1)S(N)(=O)=O |t:9|
Show InChI InChI=1S/C18H16N2O5S/c1-20-17(21)15(11-3-7-13(25-2)8-4-11)16(18(20)22)12-5-9-14(10-6-12)26(19,23)24/h3-10H,1-2H3,(H2,19,23,24)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substr...


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50001936
PNG
(CHEMBL3233602)
Show SMILES CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C17H13ClN2O4S/c1-20-16(21)14(10-2-6-12(18)7-3-10)15(17(20)22)11-4-8-13(9-5-11)25(19,23)24/h2-9H,1H3,(H2,19,23,24)
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Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substr...


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50424306
PNG
(CHEMBL2314485)
Show SMILES OC(=O)c1nnn(CCN(c2ccccc2)S(=O)(=O)c2ccccc2)c1C(O)=O
Show InChI InChI=1S/C18H16N4O6S/c23-17(24)15-16(18(25)26)21(20-19-15)11-12-22(13-7-3-1-4-8-13)29(27,28)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,23,24)(H,25,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin) using PGH2 as substrate incubated for 30 mins prior to substrate addition by PGH2-coupled spectrophotometric an...


Bioorg Med Chem Lett 23: 75-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.019
BindingDB Entry DOI: 10.7270/Q2DB8359
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50001931
PNG
(CHEMBL3233597)
Show SMILES COc1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(cc1)S(N)(=O)=O |t:9|
Show InChI InChI=1S/C17H14N2O5S/c1-24-12-6-2-10(3-7-12)14-15(17(21)19-16(14)20)11-4-8-13(9-5-11)25(18,22)23/h2-9H,1H3,(H2,18,22,23)(H,19,20,21)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50295834
PNG
(3-(4-chlorobenzyl)-N-(3-morpholinopropyl)-2,4-diox...)
Show SMILES Clc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCCN2CCOCC2)cc1
Show InChI InChI=1S/C23H25ClN4O4/c24-18-5-2-16(3-6-18)15-28-22(30)19-7-4-17(14-20(19)26-23(28)31)21(29)25-8-1-9-27-10-12-32-13-11-27/h2-7,14H,1,8-13,15H2,(H,25,29)(H,26,31)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte


Bioorg Med Chem 17: 4793-6 (2009)


Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50295826
PNG
(3-(2-methoxybenzyl)-2,4-dioxo-N-(2-(piperidin-1-yl...)
Show SMILES COc1ccccc1Cn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C24H28N4O4/c1-32-21-8-4-3-7-18(21)16-28-23(30)19-10-9-17(15-20(19)26-24(28)31)22(29)25-11-14-27-12-5-2-6-13-27/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3,(H,25,29)(H,26,31)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte


Bioorg Med Chem 17: 4793-6 (2009)


Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50001930
PNG
(CHEMBL3233596)
Show SMILES Cc1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(cc1)S(N)(=O)=O |t:8|
Show InChI InChI=1S/C17H14N2O4S/c1-10-2-4-11(5-3-10)14-15(17(21)19-16(14)20)12-6-8-13(9-7-12)24(18,22)23/h2-9H,1H3,(H2,18,22,23)(H,19,20,21)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50506644
PNG
(CHEMBL4558560)
Show SMILES CN(c1cccc2CN(Cc12)c1nc(Nc2cccc(c2)C(F)(F)F)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H19F6N5O2S/c1-32(36(2,34)35)18-8-3-5-13-11-33(12-16(13)18)19-17(22(26,27)28)10-29-20(31-19)30-15-7-4-6-14(9-15)21(23,24)25/h3-10H,11-12H2,1-2H3,(H,29,30,31)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged recombinant human AXL (473 to end amino acids) expressed by baculovirus in Sf9 cells using axltide substrate and ...


Bioorg Med Chem Lett 28: 3761-3765 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.013
BindingDB Entry DOI: 10.7270/Q23T9MHD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50295824
PNG
(3-(4-methoxyphenyl)-2,4-dioxo-N-(2-(piperidin-1-yl...)
Show SMILES COc1ccc(cc1)-n1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C23H26N4O4/c1-31-18-8-6-17(7-9-18)27-22(29)19-10-5-16(15-20(19)25-23(27)30)21(28)24-11-14-26-12-3-2-4-13-26/h5-10,15H,2-4,11-14H2,1H3,(H,24,28)(H,25,30)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte


Bioorg Med Chem 17: 4793-6 (2009)


Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50029593
PNG
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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Article
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n/an/a 1.80E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins pri...


Bioorg Med Chem Lett 24: 1958-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.074
BindingDB Entry DOI: 10.7270/Q2SN0BGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50295823
PNG
(3-(4-fluorophenyl)-2,4-dioxo-N-(2-(piperidin-1-yl)...)
Show SMILES Fc1ccc(cc1)-n1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C22H23FN4O3/c23-16-5-7-17(8-6-16)27-21(29)18-9-4-15(14-19(18)25-22(27)30)20(28)24-10-13-26-11-2-1-3-12-26/h4-9,14H,1-3,10-13H2,(H,24,28)(H,25,30)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte


Bioorg Med Chem 17: 4793-6 (2009)


Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50196473
PNG
(3-(4-fluorobenzyl)-2,4-dioxo-N-(2-(piperidin-1-yl)...)
Show SMILES Fc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H25FN4O3/c24-18-7-4-16(5-8-18)15-28-22(30)19-9-6-17(14-20(19)26-23(28)31)21(29)25-10-13-27-11-2-1-3-12-27/h4-9,14H,1-3,10-13,15H2,(H,25,29)(H,26,31)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte


Bioorg Med Chem 17: 4793-6 (2009)


Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50196475
PNG
(3-(4-chlorobenzyl)-2,4-dioxo-N-(3-(piperidin-1-yl)...)
Show SMILES Clc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCCN2CCCCC2)cc1
Show InChI InChI=1S/C24H27ClN4O3/c25-19-8-5-17(6-9-19)16-29-23(31)20-10-7-18(15-21(20)27-24(29)32)22(30)26-11-4-14-28-12-2-1-3-13-28/h5-10,15H,1-4,11-14,16H2,(H,26,30)(H,27,32)
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n/an/a 1.95E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Antagonist activity against T-type calcium channel alpha1G


Bioorg Med Chem 17: 4793-6 (2009)


Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50295829
PNG
(3-cyclohexyl-2,4-dioxo-N-(2-(piperidin-1-yl)ethyl)...)
Show SMILES O=C(NCCN1CCCCC1)c1ccc2c(c1)[nH]c(=O)n(C1CCCCC1)c2=O
Show InChI InChI=1S/C22H30N4O3/c27-20(23-11-14-25-12-5-2-6-13-25)16-9-10-18-19(15-16)24-22(29)26(21(18)28)17-7-3-1-4-8-17/h9-10,15,17H,1-8,11-14H2,(H,23,27)(H,24,29)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte


Bioorg Med Chem 17: 4793-6 (2009)


Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50196465
PNG
(3-(4-chlorobenzyl)-2,4-dioxo-N-(2-(piperidin-1-yl)...)
Show SMILES Clc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H25ClN4O3/c24-18-7-4-16(5-8-18)15-28-22(30)19-9-6-17(14-20(19)26-23(28)31)21(29)25-10-13-27-11-2-1-3-12-27/h4-9,14H,1-3,10-13,15H2,(H,25,29)(H,26,31)
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n/an/a 2.08E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Antagonist activity against T-type calcium channel alpha1G


Bioorg Med Chem 17: 4793-6 (2009)


Article DOI: 10.1016/j.bmc.2009.04.029
BindingDB Entry DOI: 10.7270/Q2668F4R
More data for this
Ligand-Target Pair
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