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Compile Data Set for Download or QSAR

Found 544 hits with Last Name = 'lin' and Initial = 'dc'   
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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081537
PNG
(CHEMBL3422092)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CC1)c1ccccn1 |r,@:7|
Show InChI InChI=1/C30H31N5O2/c36-24-16-22-11-12-23(17-24)35(22)21-9-6-18(7-10-21)28-25-15-20(8-13-26(25)33-34-28)30(37)32-29(19-4-5-19)27-3-1-2-14-31-27/h1-3,6-10,13-15,19,22-24,29,36H,4-5,11-12,16-17H2,(H,32,37)(H,33,34)/t22-,23-,29+/s2
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0.700n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate by Lineweaver-Burk plot analysis in prese...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183019
PNG
(CHEMBL3819210)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C28H30N6O3/c1-18-15-20(7-10-23(18)26(35)31-21-8-9-21)24-17-30-34-25(24)32-28(37-22-5-3-2-4-6-22)33-27(34)29-16-19-11-13-36-14-12-19/h2-7,10,15,17,19,21H,8-9,11-14,16H2,1H3,(H,31,35)(H,29,32,33)
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0.770n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of TTK (unknown origin) by double reciprocal plot analysis in presence of ATP


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421905
PNG
(CHEMBL553265)
Show SMILES C1CCC(CC1)N1CC[C@@H]2[C@@H](CCc3ccccc23)C1 |r|
Show InChI InChI=1S/C19H27N/c1-2-7-17(8-3-1)20-13-12-19-16(14-20)11-10-15-6-4-5-9-18(15)19/h4-6,9,16-17,19H,1-3,7-8,10-14H2/t16-,19+/m0/s1
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n/an/a 0.251n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)


BindingDB Entry DOI: 10.7270/Q2MP54K8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421907
PNG
(CHEMBL540274)
Show SMILES C(Cc1ccccc1)N1CC[C@@H]2[C@@H](CCc3ccccc23)C1 |r,@:8|
Show InChI InChI=1S/C21H25N/c1-2-6-17(7-3-1)12-14-22-15-13-21-19(16-22)11-10-18-8-4-5-9-20(18)21/h1-9,19,21H,10-16H2/t19-,21+/m0/s1
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n/an/a 0.324n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)


BindingDB Entry DOI: 10.7270/Q2MP54K8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183021
PNG
(CHEMBL3818646)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3cccc(F)c3F)nc12
Show InChI InChI=1S/C28H28F2N6O3/c1-16-13-18(5-8-20(16)26(37)33-19-6-7-19)21-15-32-36-25(21)34-28(39-23-4-2-3-22(29)24(23)30)35-27(36)31-14-17-9-11-38-12-10-17/h2-5,8,13,15,17,19H,6-7,9-12,14H2,1H3,(H,33,37)(H,31,34,35)
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n/an/a 0.400n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183022
PNG
(CHEMBL3819019)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Nc3cccc(F)c3)nc12
Show InChI InChI=1S/C28H30FN7O2/c1-17-13-19(5-8-23(17)26(37)32-21-6-7-21)24-16-31-36-25(24)34-27(33-22-4-2-3-20(29)14-22)35-28(36)30-15-18-9-11-38-12-10-18/h2-5,8,13-14,16,18,21H,6-7,9-12,15H2,1H3,(H,32,37)(H2,30,33,34,35)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421946
PNG
(CHEMBL1788383)
Show SMILES C(N1CCC2(CCc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)20/h1-9H,10-16H2
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n/an/a 0.724n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)


BindingDB Entry DOI: 10.7270/Q2GX4CVJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183023
PNG
(CHEMBL3819328)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Nc3ccccc3F)nc12
Show InChI InChI=1S/C28H30FN7O2/c1-17-14-19(6-9-21(17)26(37)32-20-7-8-20)22-16-31-36-25(22)34-27(33-24-5-3-2-4-23(24)29)35-28(36)30-15-18-10-12-38-13-11-18/h2-6,9,14,16,18,20H,7-8,10-13,15H2,1H3,(H,32,37)(H2,30,33,34,35)
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n/an/a 0.940n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421940
PNG
(CHEMBL62770)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-[#6]-c3ccccc23)[#6]-[#6]-1
Show InChI InChI=1S/C19H27N/c1-16(2)9-13-20-14-11-19(12-15-20)10-5-7-17-6-3-4-8-18(17)19/h3-4,6,8-9H,5,7,10-15H2,1-2H3
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)


BindingDB Entry DOI: 10.7270/Q2GX4CVJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081539
PNG
(CHEMBL3422104)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1cccc2ncccc12
Show InChI InChI=1S/C29H28N6O/c1-18(2)15-31-27-28-32-16-26(19-8-10-20(11-9-19)29(36)33-21-12-13-21)35(28)17-25(34-27)23-5-3-7-24-22(23)6-4-14-30-24/h3-11,14,16-18,21H,12-13,15H2,1-2H3,(H,31,34)(H,33,36)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TTK


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081539
PNG
(CHEMBL3422104)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1cccc2ncccc12
Show InChI InChI=1S/C29H28N6O/c1-18(2)15-31-27-28-32-16-26(19-8-10-20(11-9-19)29(36)33-21-12-13-21)35(28)17-25(34-27)23-5-3-7-24-22(23)6-4-14-30-24/h3-11,14,16-18,21H,12-13,15H2,1-2H3,(H,31,34)(H,33,36)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged TTK using biotinylated PWDPDDADITEILG as substrate preincubated for 15 mins followe...


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081597
PNG
(CHEMBL3422095)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CCCC1)c1ncccn1 |r,@:7|
Show InChI InChI=1/C31H34N6O2/c38-25-17-23-11-12-24(18-25)37(23)22-9-6-20(7-10-22)28-26-16-21(8-13-27(26)35-36-28)31(39)34-29(19-4-1-2-5-19)30-32-14-3-15-33-30/h3,6-10,13-16,19,23-25,29,38H,1-2,4-5,11-12,17-18H2,(H,34,39)(H,35,36)/t23-,24-,29-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081607
PNG
(CHEMBL3422080)
Show SMILES O=C(NCC1(CCCCC1)N1CCOCC1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1
Show InChI InChI=1/C31H39N5O3/c37-30(32-21-31(12-2-1-3-13-31)35-14-16-38-17-15-35)23-6-11-28-27(18-23)29(34-33-28)22-4-7-24(8-5-22)36-25-9-10-26(36)20-39-19-25/h4-8,11,18,25-26H,1-3,9-10,12-17,19-21H2,(H,32,37)(H,33,34)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421906
PNG
(CHEMBL544281)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#7]-1-[#6]-[#6]-[#6@@H]-2-[#6@@H](-[#6]-[#6]-c3ccccc-23)-[#6]-1 |r|
Show InChI InChI=1S/C18H25N/c1-14(2)9-11-19-12-10-18-16(13-19)8-7-15-5-3-4-6-17(15)18/h3-6,9,16,18H,7-8,10-13H2,1-2H3/t16-,18+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)


BindingDB Entry DOI: 10.7270/Q2MP54K8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50170657
PNG
(1''-butyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-p...)
Show SMILES CCCCN1CCC2(CCCc3ccccc23)CC1
Show InChI InChI=1S/C18H27N/c1-2-3-13-19-14-11-18(12-15-19)10-6-8-16-7-4-5-9-17(16)18/h4-5,7,9H,2-3,6,8,10-15H2,1H3
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)


BindingDB Entry DOI: 10.7270/Q2GX4CVJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081574
PNG
(CHEMBL3422086)
Show SMILES O=C(N[C@@H](C1CCCC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1 |r|
Show InChI InChI=1/C31H33N5O2/c37-31(33-30(20-5-1-2-6-20)28-7-3-4-16-32-28)22-10-15-27-26(17-22)29(35-34-27)21-8-11-23(12-9-21)36-24-13-14-25(36)19-38-18-24/h3-4,7-12,15-17,20,24-25,30H,1-2,5-6,13-14,18-19H2,(H,33,37)(H,34,35)/t24?,25?,30-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081578
PNG
(CHEMBL3422091)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CC1)c1ccccn1 |r,@:7|
Show InChI InChI=1/C30H31N5O2/c36-24-16-22-11-12-23(17-24)35(22)21-9-6-18(7-10-21)28-25-15-20(8-13-26(25)33-34-28)30(37)32-29(19-4-5-19)27-3-1-2-14-31-27/h1-3,6-10,13-15,19,22-24,29,36H,4-5,11-12,16-17H2,(H,32,37)(H,33,34)/t22-,23-,29-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421930
PNG
(CHEMBL1788382)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-c3ccccc23)[#6]-[#6]-1
Show InChI InChI=1S/C18H25N/c1-15(2)8-12-19-13-10-18(11-14-19)9-7-16-5-3-4-6-17(16)18/h3-6,8H,7,9-14H2,1-2H3
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)


BindingDB Entry DOI: 10.7270/Q2GX4CVJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421932
PNG
(CHEMBL1743999)
Show SMILES C(C1CCCCC1)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C20H29N/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)20/h4-5,8-9,17H,1-3,6-7,10-16H2
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)


BindingDB Entry DOI: 10.7270/Q2GX4CVJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421939
PNG
(CHEMBL1744003)
Show SMILES Cc1ccc(CN2CCC3(CCCc4ccccc34)CC2)cc1
Show InChI InChI=1S/C22H27N/c1-18-8-10-19(11-9-18)17-23-15-13-22(14-16-23)12-4-6-20-5-2-3-7-21(20)22/h2-3,5,7-11H,4,6,12-17H2,1H3
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)


BindingDB Entry DOI: 10.7270/Q2GX4CVJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081609
PNG
(CHEMBL3422084)
Show SMILES O=C(N[C@@H](C1CC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1 |r|
Show InChI InChI=1/C29H29N5O2/c35-29(31-28(19-4-5-19)26-3-1-2-14-30-26)20-8-13-25-24(15-20)27(33-32-25)18-6-9-21(10-7-18)34-22-11-12-23(34)17-36-16-22/h1-3,6-10,13-15,19,22-23,28H,4-5,11-12,16-17H2,(H,31,35)(H,32,33)/t22?,23?,28-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421895
PNG
(CHEMBL555890)
Show SMILES C1CCC(CC1)N1CCC2C(C1)CCCc1ccccc21
Show InChI InChI=1S/C20H29N/c1-2-10-18(11-3-1)21-14-13-20-17(15-21)9-6-8-16-7-4-5-12-19(16)20/h4-5,7,12,17-18,20H,1-3,6,8-11,13-15H2
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)


BindingDB Entry DOI: 10.7270/Q2MP54K8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183019
PNG
(CHEMBL3819210)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C28H30N6O3/c1-18-15-20(7-10-23(18)26(35)31-21-8-9-21)24-17-30-34-25(24)32-28(37-22-5-3-2-4-6-22)33-27(34)29-16-19-11-13-36-14-12-19/h2-7,10,15,17,19,21H,8-9,11-14,16H2,1H3,(H,31,35)(H,29,32,33)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421954
PNG
(CHEMBL1744015)
Show SMILES CCCCCCN1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C19H29N/c1-2-3-4-7-14-20-15-12-19(13-16-20)11-10-17-8-5-6-9-18(17)19/h5-6,8-9H,2-4,7,10-16H2,1H3
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)


BindingDB Entry DOI: 10.7270/Q2GX4CVJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081600
PNG
(CHEMBL3422099)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](CC1CC1)c1ccccn1 |r,@:7|
Show InChI InChI=1/C31H33N5O2/c37-25-17-23-11-12-24(18-25)36(23)22-9-6-20(7-10-22)30-26-16-21(8-13-27(26)34-35-30)31(38)33-29(15-19-4-5-19)28-3-1-2-14-32-28/h1-3,6-10,13-14,16,19,23-25,29,37H,4-5,11-12,15,17-18H2,(H,33,38)(H,34,35)/t23-,24-,29+/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081578
PNG
(CHEMBL3422091)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CC1)c1ccccn1 |r,@:7|
Show InChI InChI=1/C30H31N5O2/c36-24-16-22-11-12-23(17-24)35(22)21-9-6-18(7-10-21)28-25-15-20(8-13-26(25)33-34-28)30(37)32-29(19-4-5-19)27-3-1-2-14-31-27/h1-3,6-10,13-15,19,22-24,29,36H,4-5,11-12,16-17H2,(H,32,37)(H,33,34)/t22-,23-,29-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081598
PNG
(CHEMBL3422097)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](CC(C)C)c1ccccn1 |r,@:7|
Show InChI InChI=1/C31H35N5O2/c1-19(2)15-29(28-5-3-4-14-32-28)33-31(38)21-8-13-27-26(16-21)30(35-34-27)20-6-9-22(10-7-20)36-23-11-12-24(36)18-25(37)17-23/h3-10,13-14,16,19,23-25,29,37H,11-12,15,17-18H2,1-2H3,(H,33,38)(H,34,35)/t23-,24-,29-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183036
PNG
(CHEMBL3818403)
Show SMILES Clc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C27H27ClN6O3/c28-23-14-18(6-9-21(23)25(35)31-19-7-8-19)22-16-30-34-24(22)32-27(37-20-4-2-1-3-5-20)33-26(34)29-15-17-10-12-36-13-11-17/h1-6,9,14,16-17,19H,7-8,10-13,15H2,(H,31,35)(H,29,32,33)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421903
PNG
(CHEMBL545212)
Show SMILES C=CCCN1CC[C@@H]2[C@@H](CCc3ccccc23)C1 |r|
Show InChI InChI=1S/C17H23N/c1-2-3-11-18-12-10-17-15(13-18)9-8-14-6-4-5-7-16(14)17/h2,4-7,15,17H,1,3,8-13H2/t15-,17+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)


BindingDB Entry DOI: 10.7270/Q2MP54K8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421951
PNG
(CHEMBL1744002)
Show SMILES COc1ccc(CN2CCC3(CCCc4ccccc34)CC2)cc1
Show InChI InChI=1S/C22H27NO/c1-24-20-10-8-18(9-11-20)17-23-15-13-22(14-16-23)12-4-6-19-5-2-3-7-21(19)22/h2-3,5,7-11H,4,6,12-17H2,1H3
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)


BindingDB Entry DOI: 10.7270/Q2GX4CVJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50386816
PNG
(CHEMBL2047943)
Show SMILES Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1
Show InChI InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)
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University Health Network

Curated by ChEMBL


Assay Description
Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081595
PNG
(CHEMBL3422093)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CCCC1)c1ccccn1 |r,@:7|
Show InChI InChI=1/C32H35N5O2/c38-26-18-24-13-14-25(19-26)37(24)23-11-8-21(9-12-23)30-27-17-22(10-15-28(27)35-36-30)32(39)34-31(20-5-1-2-6-20)29-7-3-4-16-33-29/h3-4,7-12,15-17,20,24-26,31,38H,1-2,5-6,13-14,18-19H2,(H,34,39)(H,35,36)/t24-,25-,31-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421913
PNG
(CHEMBL545682)
Show SMILES C(N1CC[C@@H]2[C@@H](CCc3ccccc23)C1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N/c1-2-6-16(7-3-1)14-21-13-12-20-18(15-21)11-10-17-8-4-5-9-19(17)20/h1-9,18,20H,10-15H2/t18-,20+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)


BindingDB Entry DOI: 10.7270/Q2MP54K8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081552
PNG
(CHEMBL3422063)
Show SMILES CC[C@@H](NC(=O)c1ccc2[nH]nc(-c3ccc(OC4CCN(C)CC4)cc3)c2c1)c1ccccc1Cl |r|
Show InChI InChI=1/C29H31ClN4O2/c1-3-26(23-6-4-5-7-25(23)30)31-29(35)20-10-13-27-24(18-20)28(33-32-27)19-8-11-21(12-9-19)36-22-14-16-34(2)17-15-22/h4-13,18,22,26H,3,14-17H2,1-2H3,(H,31,35)(H,32,33)/t26-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421899
PNG
(CHEMBL545688)
Show SMILES CCCCN1CCC2=C(Cc3ccccc23)C1 |t:7|
Show InChI InChI=1S/C16H21N/c1-2-3-9-17-10-8-16-14(12-17)11-13-6-4-5-7-15(13)16/h4-7H,2-3,8-12H2,1H3
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)


BindingDB Entry DOI: 10.7270/Q2MP54K8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081573
PNG
(CHEMBL3422085)
Show SMILES O=C(N[C@H](C1CC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1 |r|
Show InChI InChI=1/C29H29N5O2/c35-29(31-28(19-4-5-19)26-3-1-2-14-30-26)20-8-13-25-24(15-20)27(33-32-25)18-6-9-21(10-7-18)34-22-11-12-23(34)17-36-16-22/h1-3,6-10,13-15,19,22-23,28H,4-5,11-12,16-17H2,(H,31,35)(H,32,33)/t22?,23?,28-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421945
PNG
(CHEMBL1744017)
Show SMILES CCCCN1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C17H25N/c1-2-3-12-18-13-10-17(11-14-18)9-8-15-6-4-5-7-16(15)17/h4-7H,2-3,8-14H2,1H3
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)


BindingDB Entry DOI: 10.7270/Q2GX4CVJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421915
PNG
(CHEMBL544748)
Show SMILES CCCCN1CC[C@@H]2[C@@H](CCc3c(C)cc(C)cc23)C1 |r|
Show InChI InChI=1S/C19H29N/c1-4-5-9-20-10-8-18-16(13-20)6-7-17-15(3)11-14(2)12-19(17)18/h11-12,16,18H,4-10,13H2,1-3H3/t16-,18+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)


BindingDB Entry DOI: 10.7270/Q2MP54K8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421926
PNG
(CHEMBL541052)
Show SMILES COc1ccc(CN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1 |r|
Show InChI InChI=1S/C21H25NO/c1-23-19-10-6-16(7-11-19)14-22-13-12-21-18(15-22)9-8-17-4-2-3-5-20(17)21/h2-7,10-11,18,21H,8-9,12-15H2,1H3/t18-,21+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)


BindingDB Entry DOI: 10.7270/Q2MP54K8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081571
PNG
(CHEMBL3422083)
Show SMILES CC(C)[C@H](NC(=O)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1)c1ccccc1Cl |r|
Show InChI InChI=1/C30H31ClN4O2/c1-18(2)28(24-5-3-4-6-26(24)31)32-30(36)20-9-14-27-25(15-20)29(34-33-27)19-7-10-21(11-8-19)35-22-12-13-23(35)17-37-16-22/h3-11,14-15,18,22-23,28H,12-13,16-17H2,1-2H3,(H,32,36)(H,33,34)/t22?,23?,28-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421894
PNG
(CHEMBL555581)
Show SMILES CCCCN1CCC2C(C1)CCCc1ccccc21
Show InChI InChI=1S/C18H27N/c1-2-3-12-19-13-11-18-16(14-19)9-6-8-15-7-4-5-10-17(15)18/h4-5,7,10,16,18H,2-3,6,8-9,11-14H2,1H3
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n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)


BindingDB Entry DOI: 10.7270/Q2MP54K8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421929
PNG
(CHEMBL544987)
Show SMILES C1CN(C[C@@H]2CCc3ccccc3[C@H]12)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |r,wU:19.27,21.25,wD:4.3,13.13,15.28,17.26,TLB:22:21:23:17.16.18,22:17:23:14.21.20,THB:2:14:23:17.16.18,(4.25,1.05,;2.97,.26,;1.6,1.04,;1.59,2.58,;2.93,3.36,;2.92,4.88,;4.24,5.64,;5.62,4.85,;6.9,5.66,;8.23,4.9,;8.24,3.34,;6.9,2.58,;5.57,3.35,;4.3,2.57,;.23,.31,;.24,-1.24,;-1.09,-1.63,;-2.6,-1.09,;-3.75,-2.4,;-2.14,-1.95,;-2.14,-.19,;-1.09,.98,;-2.6,.37,;-.78,-2.5,)|
Show InChI InChI=1S/C23H31N/c1-2-4-21-17(3-1)5-6-18-14-24(8-7-22(18)21)23-19-10-15-9-16(12-19)13-20(23)11-15/h1-4,15-16,18-20,22-23H,5-14H2/t15-,16+,18-,19-,20+,22+,23?/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)


BindingDB Entry DOI: 10.7270/Q2MP54K8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183041
PNG
(CHEMBL3819003)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCCN3CCOCC3)nc(Oc3cccc(F)c3F)nc12
Show InChI InChI=1S/C28H29F2N7O3/c1-17-15-18(5-8-20(17)26(38)33-19-6-7-19)21-16-32-37-25(21)34-28(40-23-4-2-3-22(29)24(23)30)35-27(37)31-9-10-36-11-13-39-14-12-36/h2-5,8,15-16,19H,6-7,9-14H2,1H3,(H,33,38)(H,31,34,35)
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n/an/a 2.20n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081601
PNG
(CHEMBL3422102)
Show SMILES [H][C@]12COC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CCCC1)c1ccccn1 |r,@:8,THB:9:8:11:2.4.3|
Show InChI InChI=1/C32H35N5O3/c38-26-16-24-18-40-19-25(17-26)37(24)23-11-8-21(9-12-23)30-27-15-22(10-13-28(27)35-36-30)32(39)34-31(20-5-1-2-6-20)29-7-3-4-14-33-29/h3-4,7-15,20,24-26,31,38H,1-2,5-6,16-19H2,(H,34,39)(H,35,36)/t24-,25-,31-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421934
PNG
(CHEMBL1744000)
Show SMILES C(C1CCCCC1)N1CCC2(CCCc3ccccc23)CC1
Show InChI InChI=1S/C21H31N/c1-2-7-18(8-3-1)17-22-15-13-21(14-16-22)12-6-10-19-9-4-5-11-20(19)21/h4-5,9,11,18H,1-3,6-8,10,12-17H2
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n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.


J Med Chem 35: 2033-9 (1992)


BindingDB Entry DOI: 10.7270/Q2GX4CVJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421904
PNG
(CHEMBL553561)
Show SMILES C1CN(C[C@@H]2CCc3ccccc3[C@H]12)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |r,THB:19:20:15:23.18.17,19:18:15:22.20.21|
Show InChI InChI=1S/C23H31N/c1-2-4-21-19(3-1)5-6-20-15-24(8-7-22(20)21)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18,20,22H,5-15H2/t16-,17+,18-,20-,22+,23?/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)


BindingDB Entry DOI: 10.7270/Q2MP54K8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183025
PNG
(CHEMBL3818533)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(OC3CCCC3)nc12
Show InChI InChI=1S/C27H34N6O3/c1-17-14-19(6-9-22(17)25(34)30-20-7-8-20)23-16-29-33-24(23)31-27(36-21-4-2-3-5-21)32-26(33)28-15-18-10-12-35-13-11-18/h6,9,14,16,18,20-21H,2-5,7-8,10-13,15H2,1H3,(H,30,34)(H,28,31,32)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081605
PNG
(CHEMBL3422077)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1ccc(cc1)-c1n[nH]c3ccc(cc13)C(=O)NC(C1CCC1)c1ccsc1)N2C=O |r|
Show InChI InChI=1/C31H32N4O3S/c36-18-35-23-7-8-24(35)16-26(15-23)38-25-9-4-20(5-10-25)30-27-14-21(6-11-28(27)33-34-30)31(37)32-29(19-2-1-3-19)22-12-13-39-17-22/h4-6,9-14,17-19,23-24,26,29H,1-3,7-8,15-16H2,(H,32,37)(H,33,34)/t23-,24+,26+,29?
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50421914
PNG
(CHEMBL543810)
Show SMILES C(C1CC1)N1CC[C@@H]2[C@@H](CCc3ccccc23)C1 |r|
Show InChI InChI=1S/C17H23N/c1-2-4-16-14(3-1)7-8-15-12-18(10-9-17(15)16)11-13-5-6-13/h1-4,13,15,17H,5-12H2/t15-,17+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


J Med Chem 35: 2025-33 (1992)


BindingDB Entry DOI: 10.7270/Q2MP54K8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183027
PNG
(CHEMBL3817905)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(NC3CCCCC3)nc12
Show InChI InChI=1S/C28H37N7O2/c1-18-15-20(7-10-23(18)26(36)31-22-8-9-22)24-17-30-35-25(24)33-27(32-21-5-3-2-4-6-21)34-28(35)29-16-19-11-13-37-14-12-19/h7,10,15,17,19,21-22H,2-6,8-9,11-14,16H2,1H3,(H,31,36)(H2,29,32,33,34)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
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