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Compile Data Set for Download or QSAR

Found 388 hits with Last Name = 'delgado' and Initial = 'm'   
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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50126474
PNG
(2-[4-(4-Naphthalen-1-yl-piperazin-1-yl)-butyl]-tet...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C24H30N4O2/c29-23-22-11-6-14-27(22)24(30)28(23)13-4-3-12-25-15-17-26(18-16-25)21-10-5-8-19-7-1-2-9-20(19)21/h1-2,5,7-10,29H,3-4,6,11-18H2
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 2.40n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50126481
PNG
(2-[4-(1H-Benzoimidazol-4-yl)-piperazin-1-ylmethyl]...)
Show SMILES Oc1c2CCCn2c(=O)n1CN1CCN(CC1)c1cccc2[nH]cnc12
Show InChI InChI=1S/C18H22N6O2/c25-17-15-5-2-6-23(15)18(26)24(17)12-21-7-9-22(10-8-21)14-4-1-3-13-16(14)20-11-19-13/h1,3-4,11,25H,2,5-10,12H2,(H,19,20)
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 4.10n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50126475
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hexahyd...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Show InChI InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16-23-11-13-24(14-12-23)19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20H,4,9-16H2
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 4.10n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50126477
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-tetrahy...)
Show SMILES Oc1c2CCCCn2c(=O)n1CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C22H26N4O2/c27-21-20-9-3-4-11-25(20)22(28)26(21)16-23-12-14-24(15-13-23)19-10-5-7-17-6-1-2-8-18(17)19/h1-2,5-8,10,27H,3-4,9,11-16H2
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 5.60n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50451842
PNG
(CHEMBL2113339)
Show SMILES O=C1C2CCCCN2C(=O)N1CN1CCN(CC1)c1cccc2OCCOCc12
Show InChI InChI=1S/C21H28N4O4/c26-20-18-4-1-2-7-24(18)21(27)25(20)15-22-8-10-23(11-9-22)17-5-3-6-19-16(17)14-28-12-13-29-19/h3,5-6,18H,1-2,4,7-15H2
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 6.10n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))		BDBM50364378
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)|
Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1
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 6.20n/an/an/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK2 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition mea...

Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50126480
PNG
(2-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...)
Show SMILES Oc1c2CCCCn2c(=O)n1CN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C20H26N4O4/c25-19-16-4-1-2-7-23(16)20(26)24(19)14-21-8-10-22(11-9-21)15-5-3-6-17-18(15)28-13-12-27-17/h3,5-6,25H,1-2,4,7-14H2
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 9.30n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50126476
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-tetrahy...)
Show SMILES Oc1c2CCCn2c(=O)n1CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C21H24N4O2/c26-20-19-9-4-10-24(19)21(27)25(20)15-22-11-13-23(14-12-22)18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,26H,4,9-15H2
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 10n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50451843
PNG
(CHEMBL2113340)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3OCCOCc23)C(=O)C2CCCN12
Show InChI InChI=1S/C21H28N4O4/c26-20-13-24(21(27)18-4-2-6-25(18)20)15-22-7-9-23(10-8-22)17-3-1-5-19-16(17)14-28-11-12-29-19/h1,3,5,18H,2,4,6-15H2
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 12n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50126475
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hexahyd...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Show InChI InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16-23-11-13-24(14-12-23)19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20H,4,9-16H2
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 14n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 2A receptor in rat cerebral frontal cortex membranes using [3H]-ketanserin as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50364378
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)|
Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1
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 44n/an/an/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me...

Bioorg Med Chem Lett 22: 1433-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50126474
PNG
(2-[4-(4-Naphthalen-1-yl-piperazin-1-yl)-butyl]-tet...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C24H30N4O2/c29-23-22-11-6-14-27(22)24(30)28(23)13-4-3-12-25-15-17-26(18-16-25)21-10-5-8-19-7-1-2-9-20(19)21/h1-2,5,7-10,29H,3-4,6,11-18H2
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 65n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))		BDBM50126475
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hexahyd...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Show InChI InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16-23-11-13-24(14-12-23)19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20H,4,9-16H2
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 101n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 7 receptor in rat hypothalamus membranes using [3H]-5-CT as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50126475
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hexahyd...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Show InChI InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16-23-11-13-24(14-12-23)19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20H,4,9-16H2
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 192n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards dopamine D2 receptor in rat striatum membranes using [3H]-raclopride as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50126475
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hexahyd...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Show InChI InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16-23-11-13-24(14-12-23)19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20H,4,9-16H2
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 976n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT transporter in rat cerebral cortex membranes using [3H]-paroxetine as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50451843
PNG
(CHEMBL2113340)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3OCCOCc23)C(=O)C2CCCN12
Show InChI InChI=1S/C21H28N4O4/c26-20-13-24(21(27)18-4-2-6-25(18)20)15-22-7-9-23(10-8-22)17-3-1-5-19-16(17)14-28-11-12-29-19/h1,3,5,18H,2,4,6-15H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50451842
PNG
(CHEMBL2113339)
Show SMILES O=C1C2CCCCN2C(=O)N1CN1CCN(CC1)c1cccc2OCCOCc12
Show InChI InChI=1S/C21H28N4O4/c26-20-18-4-1-2-7-24(18)21(27)25(20)15-22-8-10-23(11-9-22)17-5-3-6-19-16(17)14-28-12-13-29-19/h3,5-6,18H,1-2,4,7-15H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50126477
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-tetrahy...)
Show SMILES Oc1c2CCCCn2c(=O)n1CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C22H26N4O2/c27-21-20-9-3-4-11-25(20)22(28)26(21)16-23-12-14-24(15-13-23)19-10-5-7-17-6-1-2-8-18(17)19/h1-2,5-8,10,27H,3-4,9,11-16H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50126480
PNG
(2-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...)
Show SMILES Oc1c2CCCCn2c(=O)n1CN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C20H26N4O4/c25-19-16-4-1-2-7-23(16)20(26)24(19)14-21-8-10-22(11-9-21)15-5-3-6-17-18(15)28-13-12-27-17/h3,5-6,25H,1-2,4,7-14H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50126476
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-tetrahy...)
Show SMILES Oc1c2CCCn2c(=O)n1CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C21H24N4O2/c26-20-19-9-4-10-24(19)21(27)25(20)15-22-11-13-23(14-12-22)18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,26H,4,9-15H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50126475
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hexahyd...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Show InChI InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16-23-11-13-24(14-12-23)19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20H,4,9-16H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50126481
PNG
(2-[4-(1H-Benzoimidazol-4-yl)-piperazin-1-ylmethyl]...)
Show SMILES Oc1c2CCCn2c(=O)n1CN1CCN(CC1)c1cccc2[nH]cnc12
Show InChI InChI=1S/C18H22N6O2/c25-17-15-5-2-6-23(15)18(26)24(17)12-21-7-9-22(10-8-21)14-4-1-3-13-16(14)20-11-19-13/h1,3-4,11,25H,2,5-10,12H2,(H,19,20)
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 1.00E+4n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50126475
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hexahyd...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Show InChI InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16-23-11-13-24(14-12-23)19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20H,4,9-16H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 4 receptor in rat striatum membranes using [3H]-GR-113,808 as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM251460
PNG
(US9452998, 9)
Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F
Show InChI InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34)
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50578360
PNG
(CHEMBL4849353)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCC[C@H](O)C2)n1 |r,wU:5.8,18.18,23.24,wD:2.1,(62.95,-4.56,;64.29,-3.79,;65.62,-4.57,;65.61,-6.11,;66.95,-6.89,;68.27,-6.12,;68.28,-4.58,;66.96,-3.81,;69.61,-6.89,;70.94,-6.12,;70.94,-4.57,;72.27,-3.8,;73.61,-4.57,;74.94,-3.79,;76.27,-4.55,;74.93,-2.25,;73.62,-6.11,;74.95,-6.87,;74.96,-8.41,;73.53,-9.12,;73.24,-10.59,;74.17,-11.79,;75.64,-11.83,;76.67,-10.59,;78.16,-10.97,;76.35,-9.09,;72.27,-6.89,)|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50578357
PNG
(CHEMBL4856984)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@](C)(O)C2)n1 |r,wU:5.8,18.18,wD:22.23,2.1,(1.13,-3.13,;2.47,-2.37,;3.8,-3.14,;3.79,-4.69,;5.12,-5.47,;6.45,-4.69,;6.46,-3.15,;5.13,-2.38,;7.78,-5.46,;9.12,-4.69,;9.12,-3.15,;10.45,-2.38,;11.79,-3.14,;13.11,-2.37,;14.45,-3.13,;13.11,-.83,;11.79,-4.69,;13.13,-5.45,;13.14,-6.99,;11.81,-7.76,;11.81,-9.29,;13.15,-10.06,;14.47,-9.29,;15.24,-10.62,;16.01,-9.29,;14.48,-7.75,;10.45,-5.47,)|
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TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50573043
PNG
(CHEMBL4849510)
Show SMILES CC1(C)[C@@H](O)C[C@H]1Nc1nc(NCc2cncnc2OCC(F)F)ncc1C#N |r|
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50573038
PNG
(CHEMBL4853353)
Show SMILES CC1(C)[C@@H](C[C@@H]1C(N)=O)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r|
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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS
More data for this
Ligand-Target Pair
Cyclic AMP-dependent transcription factor ATF-4


(Human)		BDBM524158
PNG
(US11166942, Compound 60)
Show SMILES O[C@@H](COc1ccc(Cl)c(F)c1)CN1CCN(CC1)NC(=O)c1ccc2cc(Cl)ccc2c1 |r|
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
The ATF4 reporter was prepared by fusing the human full length 5′UTR of ATF4 (NCBI Accession No. BC022088.2) upstream of the firefly luciferase...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QJ7MG1
More data for this
Ligand-Target Pair
Cyclic AMP-dependent transcription factor ATF-4


(Human)		BDBM524152
PNG
(US11166942, Compound 54)
Show SMILES O[C@H](CNC1CCN(CC1)NC(=O)c1cc2cc(Cl)ccc2o1)COc1ccc(Cl)c(F)c1 |r|
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
The ATF4 reporter was prepared by fusing the human full length 5′UTR of ATF4 (NCBI Accession No. BC022088.2) upstream of the firefly luciferase...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QJ7MG1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))		BDBM251460
PNG
(US9452998, 9)
Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F
Show InChI InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34)
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKC-alpha (unknown origin)

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclic AMP-dependent transcription factor ATF-4


(Human)		BDBM524148
PNG
(US11166942, Compound 50)
Show SMILES O[C@@H](COc1ccc(Cl)c(F)c1)CN1CCN(CC1)NC(=O)COc1ccc(Cl)c(F)c1 |r|
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n/an/a 1.93n/an/an/an/an/an/a


TBA

Assay Description
The ATF4 reporter was prepared by fusing the human full length 5′UTR of ATF4 (NCBI Accession No. BC022088.2) upstream of the firefly luciferase...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QJ7MG1
More data for this
Ligand-Target Pair
Cyclic AMP-dependent transcription factor ATF-4


(Human)		BDBM524138
PNG
(US11166942, Compound 31 | US11166942, Compound 47)
Show SMILES Fc1cc(OCC(=O)NC2CCN(CC2)NC(=O)C2CNc3cc(Cl)ccc3O2)ccc1Cl
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n/an/a 1.98n/an/an/an/an/an/a


TBA

Assay Description
The ATF4 reporter was prepared by fusing the human full length 5′UTR of ATF4 (NCBI Accession No. BC022088.2) upstream of the firefly luciferase...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QJ7MG1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50578347
PNG
(CHEMBL4853125)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@@H](O)C2)n1 |r,wU:5.8,18.18,wD:2.1,22.23,(41.41,-23.69,;42.75,-22.93,;44.08,-23.7,;44.07,-25.24,;45.41,-26.02,;46.73,-25.25,;46.74,-23.71,;45.42,-22.94,;48.07,-26.02,;49.4,-25.25,;49.4,-23.71,;50.73,-22.94,;52.07,-23.7,;53.4,-22.92,;54.73,-23.69,;53.39,-21.38,;52.08,-25.24,;53.41,-26.01,;53.42,-27.55,;52.09,-28.32,;52.09,-29.85,;53.43,-30.62,;54.76,-29.85,;56.1,-30.62,;54.76,-28.3,;50.73,-26.02,)|
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TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50578358
PNG
(CHEMBL4878370)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CC[C@@H](C)[C@H](O)C2)n1 |r,wU:5.8,18.18,23.24,wD:2.1,21.22,(19.9,-4.09,;21.24,-3.32,;22.57,-4.1,;22.57,-5.64,;23.9,-6.42,;25.23,-5.65,;25.24,-4.11,;23.91,-3.34,;26.56,-6.42,;27.89,-5.65,;27.9,-4.11,;29.22,-3.34,;30.56,-4.1,;31.89,-3.32,;33.23,-4.09,;31.88,-1.78,;30.57,-5.64,;31.91,-6.41,;31.91,-7.95,;30.58,-8.72,;30.59,-10.25,;31.92,-11.02,;31.92,-12.56,;33.25,-10.24,;34.58,-11.01,;33.25,-8.7,;29.23,-6.42,)|
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TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50578367
PNG
(CHEMBL4864618)
Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@@H](CC2)OCC(F)(F)F)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,23.24,27.29,wD:11.14,(79.91,-33.17,;78.57,-32.41,;78.56,-30.87,;77.24,-33.18,;75.9,-32.42,;74.57,-33.19,;74.57,-34.73,;73.24,-35.5,;71.9,-34.73,;70.58,-35.51,;69.24,-34.73,;69.25,-33.18,;70.59,-32.42,;71.91,-33.19,;67.92,-32.41,;66.58,-33.17,;65.25,-32.4,;65.26,-30.86,;63.91,-33.16,;63.91,-31.62,;75.91,-35.5,;77.25,-34.73,;78.58,-35.49,;78.59,-37.03,;77.26,-37.8,;77.27,-39.33,;78.6,-40.1,;79.93,-39.33,;81.26,-40.09,;79.93,-37.79,)|
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TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50573042
PNG
(CHEMBL4854104)
Show SMILES CC(C)(F)c1ncncc1CNc1ncc(C#N)c(N[C@@H]2C[C@H](O)C2(C)C)n1 |r|
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS
More data for this
Ligand-Target Pair
Cyclic AMP-dependent transcription factor ATF-4


(Human)		BDBM524143
PNG
(US11166942, Compound 45)
Show SMILES Clc1ccc(OCC(=O)NC2CCN(CC2)NC(=O)COc2ccc(Cl)cc2)cc1
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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
The ATF4 reporter was prepared by fusing the human full length 5′UTR of ATF4 (NCBI Accession No. BC022088.2) upstream of the firefly luciferase...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QJ7MG1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50578366
PNG
(CHEMBL4845965)
Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@@H](CC2)OC(F)F)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,21.22,25.27,wD:11.14,(57.85,-32.36,;56.51,-31.59,;56.51,-30.05,;55.18,-32.37,;53.85,-31.61,;52.52,-32.38,;52.52,-33.92,;51.18,-34.69,;49.85,-33.92,;48.52,-34.69,;47.19,-33.91,;47.19,-32.37,;48.53,-31.61,;49.86,-32.38,;45.86,-31.6,;44.53,-32.36,;43.2,-31.58,;44.52,-33.9,;53.85,-34.69,;55.19,-33.91,;56.53,-34.68,;56.54,-36.22,;55.21,-36.99,;55.21,-38.52,;56.54,-39.29,;57.87,-38.51,;59.21,-39.28,;57.88,-36.97,)|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50578346
PNG
(CHEMBL4847078)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,18.18,22.23,wD:2.1,(21,-22.65,;22.34,-21.88,;23.67,-22.66,;23.66,-24.2,;25,-24.98,;26.32,-24.21,;26.33,-22.67,;25.01,-21.9,;27.66,-24.98,;28.99,-24.21,;28.99,-22.66,;30.32,-21.89,;31.66,-22.66,;32.99,-21.88,;34.32,-22.64,;32.98,-20.34,;31.67,-24.2,;33,-24.96,;33.01,-26.5,;31.68,-27.27,;31.68,-28.81,;33.02,-29.58,;34.35,-28.8,;35.68,-29.57,;34.35,-27.26,;30.32,-24.98,)|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50578365
PNG
(CHEMBL4853525)
Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,18.19,22.24,wD:11.11,(15.33,-30.3,;13.99,-29.54,;13.99,-28,;12.66,-30.32,;11.33,-29.55,;10,-30.32,;10,-31.87,;8.66,-32.64,;7.33,-31.87,;6,-32.64,;4.67,-31.86,;4.67,-30.32,;3.34,-29.54,;6.01,-29.56,;7.34,-30.33,;11.33,-32.64,;12.67,-31.86,;14.01,-32.62,;14.02,-34.16,;12.69,-34.93,;12.69,-36.47,;14.02,-37.24,;15.35,-36.46,;16.69,-37.23,;15.36,-34.92,)|
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TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50578346
PNG
(CHEMBL4847078)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,18.18,22.23,wD:2.1,(21,-22.65,;22.34,-21.88,;23.67,-22.66,;23.66,-24.2,;25,-24.98,;26.32,-24.21,;26.33,-22.67,;25.01,-21.9,;27.66,-24.98,;28.99,-24.21,;28.99,-22.66,;30.32,-21.89,;31.66,-22.66,;32.99,-21.88,;34.32,-22.64,;32.98,-20.34,;31.67,-24.2,;33,-24.96,;33.01,-26.5,;31.68,-27.27,;31.68,-28.81,;33.02,-29.58,;34.35,-28.8,;35.68,-29.57,;34.35,-27.26,;30.32,-24.98,)|
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TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Cyclic AMP-dependent transcription factor ATF-4


(Human)		BDBM524115
PNG
(US11166942, Compound 4)
Show SMILES Fc1cc(OCC(=O)NC2CCN(CC2)NC(=O)COc2ccc(Cl)c(F)c2)ccc1Cl
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n/an/a 3.10n/an/an/an/an/an/a


TBA

Assay Description
The ATF4 reporter was prepared by fusing the human full length 5′UTR of ATF4 (NCBI Accession No. BC022088.2) upstream of the firefly luciferase...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QJ7MG1
More data for this
Ligand-Target Pair
Cyclic AMP-dependent transcription factor ATF-4


(Human)		BDBM524146
PNG
(US11166942, Compound 48)
Show SMILES O[C@@H](COc1ccc(Cl)c(F)c1)CN1CCN(CC1)NC(=O)c1cc2cc(Cl)ccc2o1 |r|
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n/an/a 3.36n/an/an/an/an/an/a


TBA

Assay Description
The ATF4 reporter was prepared by fusing the human full length 5′UTR of ATF4 (NCBI Accession No. BC022088.2) upstream of the firefly luciferase...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QJ7MG1
More data for this
Ligand-Target Pair
Cyclic AMP-dependent transcription factor ATF-4


(Human)		BDBM524144
PNG
(US11166942, Compound 46)
Show SMILES Fc1cc(OCC(=O)NC2CCN(CC2)NC(=O)[C@H]2CNc3cc(Cl)ccc3O2)ccc1Cl |r|
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
The ATF4 reporter was prepared by fusing the human full length 5′UTR of ATF4 (NCBI Accession No. BC022088.2) upstream of the firefly luciferase...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QJ7MG1
More data for this
Ligand-Target Pair
Cyclic AMP-dependent transcription factor ATF-4


(Human)		BDBM524106
PNG
(US11166942, Compound 1)
Show SMILES Fc1cc(OCC(=O)NC2CCN(CC2)NC(=O)c2ccc3cc(Cl)ccc3n2)ccc1Cl
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
The ATF4 reporter was prepared by fusing the human full length 5′UTR of ATF4 (NCBI Accession No. BC022088.2) upstream of the firefly luciferase...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QJ7MG1
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50573034
PNG
(CHEMBL4859091)
Show SMILES CC1(C)[C@@H](O)C[C@H]1Nc1nc(NCc2cnccc2C(F)(F)F)ncc1C#N |r|
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))		BDBM50572994
PNG
(CHEMBL4854326)
Show SMILES CC1(C)CC(CC(C)(C)N1)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS
More data for this
Ligand-Target Pair
Cyclic AMP-dependent transcription factor ATF-4


(Human)		BDBM524138
PNG
(US11166942, Compound 31 | US11166942, Compound 47)
Show SMILES Fc1cc(OCC(=O)NC2CCN(CC2)NC(=O)C2CNc3cc(Cl)ccc3O2)ccc1Cl
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n/an/a 4.16n/an/an/an/an/an/a


TBA

Assay Description
The ATF4 reporter was prepared by fusing the human full length 5′UTR of ATF4 (NCBI Accession No. BC022088.2) upstream of the firefly luciferase...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QJ7MG1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))		BDBM50578361
PNG
(CHEMBL4877560)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCOC2)n1 |r,wU:5.8,18.18,wD:2.1,(2.62,-17.13,;3.96,-16.37,;5.29,-17.15,;5.28,-18.69,;6.62,-19.47,;7.95,-18.69,;7.95,-17.15,;6.63,-16.38,;9.28,-19.46,;10.61,-18.7,;10.61,-17.15,;11.94,-16.38,;13.28,-17.14,;14.61,-16.37,;15.95,-17.13,;14.6,-14.83,;13.29,-18.69,;14.63,-19.45,;14.63,-20.99,;13.3,-21.76,;13.31,-23.29,;14.64,-24.07,;15.97,-23.29,;15.97,-21.75,;11.95,-19.47,)|
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
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