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Compile Data Set for Download or QSAR

Found 195 hits with Last Name = 'david kimball' and Initial = 's'   
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
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311570
PNG
(2-(6-(4-(4-aminopyrimidin-2-yloxy)piperidin-1-yl)-...)
Show SMILES Nc1ccnc(OC2CCN(CC2)c2ncnc(Oc3ccccc3C#N)c2F)n1
Show InChI InChI=1S/C20H18FN7O2/c21-17-18(25-12-26-19(17)30-15-4-2-1-3-13(15)11-22)28-9-6-14(7-10-28)29-20-24-8-5-16(23)27-20/h1-5,8,12,14H,6-7,9-10H2,(H2,23,24,27)
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n/an/a 0.700n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311564
PNG
(2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Nc1nc(OC2CCN(CC2)c2ncnc(Oc3ccccc3C#N)c2F)ncc1F
Show InChI InChI=1S/C20H17F2N7O2/c21-14-10-25-20(28-17(14)24)30-13-5-7-29(8-6-13)18-16(22)19(27-11-26-18)31-15-4-2-1-3-12(15)9-23/h1-4,10-11,13H,5-8H2,(H2,24,25,28)
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n/an/a 1n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311568
PNG
(3-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES COc1ccc(cc1Oc1ncnc(N2CCC(CC2)Oc2ncc(F)c(N)n2)c1F)C#N
Show InChI InChI=1S/C21H19F2N7O3/c1-31-15-3-2-12(9-24)8-16(15)33-20-17(23)19(27-11-28-20)30-6-4-13(5-7-30)32-21-26-10-14(22)18(25)29-21/h2-3,8,10-11,13H,4-7H2,1H3,(H2,25,26,29)
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n/an/a 1n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311609
PNG
(CHEMBL1080444 | N-((1S,3S)-3-(4-amino-5-fluoro-2-o...)
Show SMILES Nc1nc(=O)n(cc1F)[C@H]1CC[C@@H](C1)NC(=O)c1cc(ccn1)-c1cc2ccccc2s1
Show InChI InChI=1/C23H20FN5O2S/c24-17-12-29(23(31)28-21(17)25)16-6-5-15(11-16)27-22(30)18-9-14(7-8-26-18)20-10-13-3-1-2-4-19(13)32-20/h1-4,7-10,12,15-16H,5-6,11H2,(H,27,30)(H2,25,28,31)/t15-,16-/s2
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n/an/a 1.70n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human deoxycytidine kinase by lysate filter binding assay


Bioorg Med Chem Lett 19: 6784-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.081
BindingDB Entry DOI: 10.7270/Q2CV4HVK
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311569
PNG
(2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES COc1ccc(Oc2ncnc(N3CCC(CC3)Oc3ncc(F)c(N)n3)c2F)c(c1)C#N
Show InChI InChI=1S/C21H19F2N7O3/c1-31-14-2-3-16(12(8-14)9-24)33-20-17(23)19(27-11-28-20)30-6-4-13(5-7-30)32-21-26-10-15(22)18(25)29-21/h2-3,8,10-11,13H,4-7H2,1H3,(H2,25,26,29)
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n/an/a 2n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311544
PNG
(2-(2-(1-(6-(benzo[b]thiophen-2-yl)pyrimidin-4-yl)p...)
Show SMILES Nc1nc(OCCC2CCN(CC2)c2cc(ncn2)-c2cc3ccccc3s2)ncc1F
Show InChI InChI=1S/C23H23FN6OS/c24-17-13-26-23(29-22(17)25)31-10-7-15-5-8-30(9-6-15)21-12-18(27-14-28-21)20-11-16-3-1-2-4-19(16)32-20/h1-4,11-15H,5-10H2,(H2,25,26,29)
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n/an/a 3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311556
PNG
(2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3ccccc3C#N)ncn2)ncc1F
Show InChI InChI=1S/C20H18FN7O2/c21-15-11-24-20(27-19(15)23)29-14-5-7-28(8-6-14)17-9-18(26-12-25-17)30-16-4-2-1-3-13(16)10-22/h1-4,9,11-12,14H,5-8H2,(H2,23,24,27)
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n/an/a 3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311551
PNG
(2-(1-(6-(biphenyl-2-yloxy)pyrimidin-4-yl)piperidin...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3ccccc3-c3ccccc3)ncn2)ncc1F
Show InChI InChI=1S/C25H23FN6O2/c26-20-15-28-25(31-24(20)27)33-18-10-12-32(13-11-18)22-14-23(30-16-29-22)34-21-9-5-4-8-19(21)17-6-2-1-3-7-17/h1-9,14-16,18H,10-13H2,(H2,27,28,31)
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n/an/a 3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311560
PNG
(2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES COc1ccc(Oc2cc(ncn2)N2CCC(CC2)Oc2ncc(F)c(N)n2)c(c1)C#N
Show InChI InChI=1S/C21H20FN7O3/c1-30-15-2-3-17(13(8-15)10-23)32-19-9-18(26-12-27-19)29-6-4-14(5-7-29)31-21-25-11-16(22)20(24)28-21/h2-3,8-9,11-12,14H,4-7H2,1H3,(H2,24,25,28)
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n/an/a 3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311554
PNG
(2-(1-(6-(2-chlorophenoxy)pyrimidin-4-yl)piperidin-...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3ccccc3Cl)ncn2)ncc1F
Show InChI InChI=1S/C19H18ClFN6O2/c20-13-3-1-2-4-15(13)29-17-9-16(24-11-25-17)27-7-5-12(6-8-27)28-19-23-10-14(21)18(22)26-19/h1-4,9-12H,5-8H2,(H2,22,23,26)
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n/an/a 3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311565
PNG
(5-fluoro-2-(1-(5-fluoro-6-(4-methoxyphenoxy)pyrimi...)
Show SMILES COc1ccc(Oc2ncnc(N3CCC(CC3)Oc3ncc(F)c(N)n3)c2F)cc1
Show InChI InChI=1S/C20H20F2N6O3/c1-29-12-2-4-13(5-3-12)30-19-16(22)18(25-11-26-19)28-8-6-14(7-9-28)31-20-24-10-15(21)17(23)27-20/h2-5,10-11,14H,6-9H2,1H3,(H2,23,24,27)
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n/an/a 4n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311566
PNG
(3-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Nc1nc(OC2CCN(CC2)c2ncnc(Oc3cccc(c3)C#N)c2F)ncc1F
Show InChI InChI=1S/C20H17F2N7O2/c21-15-10-25-20(28-17(15)24)31-13-4-6-29(7-5-13)18-16(22)19(27-11-26-18)30-14-3-1-2-12(8-14)9-23/h1-3,8,10-11,13H,4-7H2,(H2,24,25,28)
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n/an/a 4n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311563
PNG
(2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Nc1nc(OC2CCN(CC2)c2ncnc(Oc3ccccc3C#N)c2Br)ncc1F
Show InChI InChI=1S/C20H17BrFN7O2/c21-16-18(26-11-27-19(16)31-15-4-2-1-3-12(15)9-23)29-7-5-13(6-8-29)30-20-25-10-14(22)17(24)28-20/h1-4,10-11,13H,5-8H2,(H2,24,25,28)
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n/an/a 5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311548
PNG
(5-fluoro-2-(1-(6-(2-methoxyphenoxy)pyrimidin-4-yl)...)
Show SMILES COc1ccccc1Oc1cc(ncn1)N1CCC(CC1)Oc1ncc(F)c(N)n1
Show InChI InChI=1S/C20H21FN6O3/c1-28-15-4-2-3-5-16(15)30-18-10-17(24-12-25-18)27-8-6-13(7-9-27)29-20-23-11-14(21)19(22)26-20/h2-5,10-13H,6-9H2,1H3,(H2,22,23,26)
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n/an/a 5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311567
PNG
(4-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Nc1nc(OC2CCN(CC2)c2ncnc(Oc3ccc(cc3)C#N)c2F)ncc1F
Show InChI InChI=1S/C20H17F2N7O2/c21-15-10-25-20(28-17(15)24)31-14-5-7-29(8-6-14)18-16(22)19(27-11-26-18)30-13-3-1-12(9-23)2-4-13/h1-4,10-11,14H,5-8H2,(H2,24,25,28)
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n/an/a 5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311558
PNG
(5-fluoro-2-(1-(6-(2-fluorophenoxy)pyrimidin-4-yl)p...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3ccccc3F)ncn2)ncc1F
Show InChI InChI=1S/C19H18F2N6O2/c20-13-3-1-2-4-15(13)29-17-9-16(24-11-25-17)27-7-5-12(6-8-27)28-19-23-10-14(21)18(22)26-19/h1-4,9-12H,5-8H2,(H2,22,23,26)
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n/an/a 6n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50300929
PNG
((S)-2-amino-3-(4-(4-amino-6-(biphenyl-2-ylmethylam...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCc2ccccc2-c2ccccc2)n1)C(O)=O
Show InChI InChI=1/C25H24N6O2/c26-21(23(32)33)14-16-10-12-18(13-11-16)22-29-24(27)31-25(30-22)28-15-19-8-4-5-9-20(19)17-6-2-1-3-7-17/h1-13,21H,14-15,26H2,(H,32,33)(H3,27,28,29,30,31)/t21-/s2
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n/an/a 7n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay


Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311550
PNG
(5-fluoro-2-(1-(6-(o-tolyloxy)pyrimidin-4-yl)piperi...)
Show SMILES Cc1ccccc1Oc1cc(ncn1)N1CCC(CC1)Oc1ncc(F)c(N)n1
Show InChI InChI=1S/C20H21FN6O2/c1-13-4-2-3-5-16(13)29-18-10-17(24-12-25-18)27-8-6-14(7-9-27)28-20-23-11-15(21)19(22)26-20/h2-5,10-12,14H,6-9H2,1H3,(H2,22,23,26)
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n/an/a 9n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311559
PNG
(2-(1-(6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl)p...)
Show SMILES Cc1cc(Cl)ccc1Oc1cc(ncn1)N1CCC(CC1)Oc1ncc(F)c(N)n1
Show InChI InChI=1S/C20H20ClFN6O2/c1-12-8-13(21)2-3-16(12)30-18-9-17(25-11-26-18)28-6-4-14(5-7-28)29-20-24-10-15(22)19(23)27-20/h2-3,8-11,14H,4-7H2,1H3,(H2,23,24,27)
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n/an/a 9n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311555
PNG
(2-(1-(6-(2-ethylphenoxy)pyrimidin-4-yl)piperidin-4...)
Show SMILES CCc1ccccc1Oc1cc(ncn1)N1CCC(CC1)Oc1ncc(F)c(N)n1
Show InChI InChI=1S/C21H23FN6O2/c1-2-14-5-3-4-6-17(14)30-19-11-18(25-13-26-19)28-9-7-15(8-10-28)29-21-24-12-16(22)20(23)27-21/h3-6,11-13,15H,2,7-10H2,1H3,(H2,23,24,27)
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n/an/a 10n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311562
PNG
(2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Cc1nc(Oc2ccccc2C#N)cc(n1)N1CCC(CC1)Oc1ncc(F)c(N)n1
Show InChI InChI=1S/C21H20FN7O2/c1-13-26-18(10-19(27-13)31-17-5-3-2-4-14(17)11-23)29-8-6-15(7-9-29)30-21-25-12-16(22)20(24)28-21/h2-5,10,12,15H,6-9H2,1H3,(H2,24,25,28)
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n/an/a 10n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311557
PNG
(3-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3cccc(c3)C#N)ncn2)ncc1F
Show InChI InChI=1S/C20H18FN7O2/c21-16-11-24-20(27-19(16)23)30-14-4-6-28(7-5-14)17-9-18(26-12-25-17)29-15-3-1-2-13(8-15)10-22/h1-3,8-9,11-12,14H,4-7H2,(H2,23,24,27)
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n/an/a 13n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50300932
PNG
((S)-2-amino-3-(4-(4-amino-6-((4'-methylbiphenyl-4-...)
Show SMILES Cc1ccc(cc1)-c1ccc(CNc2nc(N)nc(n2)-c2ccc(C[C@H](N)C(O)=O)cc2)cc1
Show InChI InChI=1/C26H26N6O2/c1-16-2-8-19(9-3-16)20-10-6-18(7-11-20)15-29-26-31-23(30-25(28)32-26)21-12-4-17(5-13-21)14-22(27)24(33)34/h2-13,22H,14-15,27H2,1H3,(H,33,34)(H3,28,29,30,31,32)/t22-/s2
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n/an/a 14n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay


Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052641
PNG
(CHEMBL3318586)
Show SMILES Clc1cccc(c1)-c1ccc(cc1)C(=O)N1C2CCC1CN(C2)c1ncccn1
Show InChI InChI=1/C23H21ClN4O/c24-19-4-1-3-18(13-19)16-5-7-17(8-6-16)22(29)28-20-9-10-21(28)15-27(14-20)23-25-11-2-12-26-23/h1-8,11-13,20-21H,9-10,14-15H2
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n/an/a 18n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50300935
PNG
((S)-3-{4-[4-(1-Adamantan-1-yl-ethylamino)-6-amino-...)
Show SMILES CC(Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C24H32N6O2/c1-13(24-10-15-6-16(11-24)8-17(7-15)12-24)27-23-29-20(28-22(26)30-23)18-4-2-14(3-5-18)9-19(25)21(31)32/h2-5,13,15-17,19H,6-12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t13?,15?,16?,17?,19-,24?/s2
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n/an/a 19n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay


Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311552
PNG
(2-(1-(6-(4-chlorophenoxy)pyrimidin-4-yl)piperidin-...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3ccc(Cl)cc3)ncn2)ncc1F
Show InChI InChI=1S/C19H18ClFN6O2/c20-12-1-3-13(4-2-12)28-17-9-16(24-11-25-17)27-7-5-14(6-8-27)29-19-23-10-15(21)18(22)26-19/h1-4,9-11,14H,5-8H2,(H2,22,23,26)
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n/an/a 19n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052723
PNG
(CHEMBL3318579)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc(cc1)-c1ccc(Cl)cc1)c1ncccn1
Show InChI InChI=1/C22H21ClN4O/c1-16-15-26(22-24-11-2-12-25-22)13-14-27(16)21(28)19-5-3-17(4-6-19)18-7-9-20(23)10-8-18/h2-12,16H,13-15H2,1H3/t16-/s2
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n/an/a 21n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311608
PNG
(CHEMBL1079784 | N-((1S,3S)-3-(4-amino-5-fluoro-2-o...)
Show SMILES Cc1cc(Cl)ccc1-c1cccc(c1)C(=O)N[C@H]1CC[C@@H](C1)n1cc(F)c(N)nc1=O
Show InChI InChI=1/C23H22ClFN4O2/c1-13-9-16(24)5-8-19(13)14-3-2-4-15(10-14)22(30)27-17-6-7-18(11-17)29-12-20(25)21(26)28-23(29)31/h2-5,8-10,12,17-18H,6-7,11H2,1H3,(H,27,30)(H2,26,28,31)/t17-,18-/s2
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n/an/a 21n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human deoxycytidine kinase by lysate filter binding assay


Bioorg Med Chem Lett 19: 6784-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.081
BindingDB Entry DOI: 10.7270/Q2CV4HVK
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311603
PNG
(CHEMBL1079432 | N-((1S,3S)-3-(4-amino-5-fluoro-2-o...)
Show SMILES Cc1cc(Cl)ccc1-c1cccc(c1)S(=O)(=O)N[C@H]1CC[C@@H](C1)n1cc(F)c(N)nc1=O
Show InChI InChI=1/C22H22ClFN4O3S/c1-13-9-15(23)5-8-19(13)14-3-2-4-18(10-14)32(30,31)27-16-6-7-17(11-16)28-12-20(24)21(25)26-22(28)29/h2-5,8-10,12,16-17,27H,6-7,11H2,1H3,(H2,25,26,29)/t16-,17-/s2
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n/an/a 21n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human deoxycytidine kinase by lysate filter binding assay


Bioorg Med Chem Lett 19: 6784-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.081
BindingDB Entry DOI: 10.7270/Q2CV4HVK
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311602
PNG
(CHEMBL1079771 | N-((1S,3S)-3-(4-amino-5-fluoro-2-o...)
Show SMILES Nc1nc(=O)n(cc1F)[C@H]1CC[C@@H](C1)NS(=O)(=O)c1cccc(c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1/C21H19Cl2FN4O3S/c22-13-4-7-17(18(23)9-13)12-2-1-3-16(8-12)32(30,31)27-14-5-6-15(10-14)28-11-19(24)20(25)26-21(28)29/h1-4,7-9,11,14-15,27H,5-6,10H2,(H2,25,26,29)/t14-,15-/s2
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n/an/a 21n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human deoxycytidine kinase by lysate filter binding assay


Bioorg Med Chem Lett 19: 6784-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.081
BindingDB Entry DOI: 10.7270/Q2CV4HVK
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311561
PNG
(2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Cc1c(Oc2ccccc2C#N)ncnc1N1CCC(CC1)Oc1ncc(F)c(N)n1
Show InChI InChI=1S/C21H20FN7O2/c1-13-19(26-12-27-20(13)31-17-5-3-2-4-14(17)10-23)29-8-6-15(7-9-29)30-21-25-11-16(22)18(24)28-21/h2-5,11-12,15H,6-9H2,1H3,(H2,24,25,28)
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n/an/a 21n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311549
PNG
(5-fluoro-2-(1-(6-(p-tolyloxy)pyrimidin-4-yl)piperi...)
Show SMILES Cc1ccc(Oc2cc(ncn2)N2CCC(CC2)Oc2ncc(F)c(N)n2)cc1
Show InChI InChI=1S/C20H21FN6O2/c1-13-2-4-14(5-3-13)28-18-10-17(24-12-25-18)27-8-6-15(7-9-27)29-20-23-11-16(21)19(22)26-20/h2-5,10-12,15H,6-9H2,1H3,(H2,22,23,26)
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n/an/a 21n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311553
PNG
(2-(1-(6-(3-chlorophenoxy)pyrimidin-4-yl)piperidin-...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3cccc(Cl)c3)ncn2)ncc1F
Show InChI InChI=1S/C19H18ClFN6O2/c20-12-2-1-3-14(8-12)28-17-9-16(24-11-25-17)27-6-4-13(5-7-27)29-19-23-10-15(21)18(22)26-19/h1-3,8-11,13H,4-7H2,(H2,22,23,26)
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n/an/a 22n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311547
PNG
(5-fluoro-2-(1-(6-(3-methoxyphenoxy)pyrimidin-4-yl)...)
Show SMILES COc1cccc(Oc2cc(ncn2)N2CCC(CC2)Oc2ncc(F)c(N)n2)c1
Show InChI InChI=1S/C20H21FN6O3/c1-28-14-3-2-4-15(9-14)29-18-10-17(24-12-25-18)27-7-5-13(6-8-27)30-20-23-11-16(21)19(22)26-20/h2-4,9-13H,5-8H2,1H3,(H2,22,23,26)
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n/an/a 23n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311607
PNG
(CHEMBL1076274 | N-((1S,3S)-3-(4-amino-5-fluoro-2-o...)
Show SMILES Nc1nc(=O)n(cc1F)[C@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)-c1cccc(Cl)c1
Show InChI InChI=1/C22H20ClFN4O2/c23-16-6-2-4-14(10-16)13-3-1-5-15(9-13)21(29)26-17-7-8-18(11-17)28-12-19(24)20(25)27-22(28)30/h1-6,9-10,12,17-18H,7-8,11H2,(H,26,29)(H2,25,27,30)/t17-,18-/s2
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n/an/a 23n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human deoxycytidine kinase by lysate filter binding assay


Bioorg Med Chem Lett 19: 6784-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.081
BindingDB Entry DOI: 10.7270/Q2CV4HVK
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052718
PNG
(CHEMBL3318574)
Show SMILES CC1CN(CC(C)N1C(=O)c1ccc(cc1)-c1cccc(Cl)c1)c1ncccn1
Show InChI InChI=1/C23H23ClN4O/c1-16-14-27(23-25-11-4-12-26-23)15-17(2)28(16)22(29)19-9-7-18(8-10-19)20-5-3-6-21(24)13-20/h3-13,16-17H,14-15H2,1-2H3
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n/an/a 24n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50300934
PNG
((2S)-2-amino-3-(4-(4-amino-6-(1-(biphenyl-4-yl)eth...)
Show SMILES CC(Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C26H26N6O2/c1-16(18-11-13-20(14-12-18)19-5-3-2-4-6-19)29-26-31-23(30-25(28)32-26)21-9-7-17(8-10-21)15-22(27)24(33)34/h2-14,16,22H,15,27H2,1H3,(H,33,34)(H3,28,29,30,31,32)/t16?,22-/s2
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n/an/a 24n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay


Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243613
PNG
((S)-2-Amino-3-(4-(4-amino-6-((naphthalene-2-ylmeth...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCc2ccc3ccccc3c2)n1)C(O)=O
Show InChI InChI=1/C23H22N6O2/c24-19(21(30)31)12-14-5-9-17(10-6-14)20-27-22(25)29-23(28-20)26-13-15-7-8-16-3-1-2-4-18(16)11-15/h1-11,19H,12-13,24H2,(H,30,31)(H3,25,26,27,28,29)/t19-/s2
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n/an/a 24n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay


Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243020
PNG
((S)-2-amino-3-(4-(4-amino-6-((R)-1-(naphthalen-2-y...)
Show SMILES C[C@@H](Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1
Show InChI InChI=1/C24H24N6O2/c1-14(18-11-10-16-4-2-3-5-19(16)13-18)27-24-29-21(28-23(26)30-24)17-8-6-15(7-9-17)12-20(25)22(31)32/h2-11,13-14,20H,12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t14-,20+/s2
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n/an/a 26n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay


Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052729
PNG
(CHEMBL3318585)
Show SMILES Clc1cccc(c1)-c1ccc(cc1)C(=O)N1CC2CCC(C1)N2c1ncccn1
Show InChI InChI=1/C23H21ClN4O/c24-19-4-1-3-18(13-19)16-5-7-17(8-6-16)22(29)27-14-20-9-10-21(15-27)28(20)23-25-11-2-12-26-23/h1-8,11-13,20-21H,9-10,14-15H2
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n/an/a 27n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311605
PNG
(CHEMBL1079600 | N-((1S,3S)-3-(4-amino-5-fluoro-2-o...)
Show SMILES COc1ccc(cc1)-c1cccc(c1)C(=O)N[C@H]1CC[C@@H](C1)n1cc(F)c(N)nc1=O
Show InChI InChI=1/C23H23FN4O3/c1-31-19-9-5-14(6-10-19)15-3-2-4-16(11-15)22(29)26-17-7-8-18(12-17)28-13-20(24)21(25)27-23(28)30/h2-6,9-11,13,17-18H,7-8,12H2,1H3,(H,26,29)(H2,25,27,30)/t17-,18-/s2
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n/an/a 30n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human deoxycytidine kinase by lysate filter binding assay


Bioorg Med Chem Lett 19: 6784-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.081
BindingDB Entry DOI: 10.7270/Q2CV4HVK
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311546
PNG
(5-fluoro-2-(1-(6-(4-methoxyphenoxy)pyrimidin-4-yl)...)
Show SMILES COc1ccc(Oc2cc(ncn2)N2CCC(CC2)Oc2ncc(F)c(N)n2)cc1
Show InChI InChI=1S/C20H21FN6O3/c1-28-13-2-4-14(5-3-13)29-18-10-17(24-12-25-18)27-8-6-15(7-9-27)30-20-23-11-16(21)19(22)26-20/h2-5,10-12,15H,6-9H2,1H3,(H2,22,23,26)
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n/an/a 33n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311543
PNG
(2-((1-(6-(benzo[b]thiophen-2-yl)pyrimidin-4-yl)pip...)
Show SMILES Nc1nc(OCC2CCN(CC2)c2cc(ncn2)-c2cc3ccccc3s2)ncc1F
Show InChI InChI=1S/C22H21FN6OS/c23-16-11-25-22(28-21(16)24)30-12-14-5-7-29(8-6-14)20-10-17(26-13-27-20)19-9-15-3-1-2-4-18(15)31-19/h1-4,9-11,13-14H,5-8,12H2,(H2,24,25,28)
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n/an/a 34n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052660
PNG
(CHEMBL3318552)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C22H22N4O/c1-17-3-5-18(6-4-17)19-7-9-20(10-8-19)21(27)25-13-15-26(16-14-25)22-23-11-2-12-24-22/h2-12H,13-16H2,1H3
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n/an/a 34n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052648
PNG
(CHEMBL3318563)
Show SMILES Cc1csc(c1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C20H20N4OS/c1-15-13-18(26-14-15)16-3-5-17(6-4-16)19(25)23-9-11-24(12-10-23)20-21-7-2-8-22-20/h2-8,13-14H,9-12H2,1H3
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n/an/a 34n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052640
PNG
(CHEMBL3318548)
Show SMILES Clc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H19ClN4O/c22-19-4-1-3-18(15-19)16-5-7-17(8-6-16)20(27)25-11-13-26(14-12-25)21-23-9-2-10-24-21/h1-10,15H,11-14H2
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n/an/a 36n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052728
PNG
(CHEMBL3318584)
Show SMILES Clc1cccc(c1)-c1ccc(cc1)C(=O)N1CC2CN(CC2C1)c1ncccn1
Show InChI InChI=1/C23H21ClN4O/c24-21-4-1-3-18(11-21)16-5-7-17(8-6-16)22(29)27-12-19-14-28(15-20(19)13-27)23-25-9-2-10-26-23/h1-11,19-20H,12-15H2
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n/an/a 36n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50300930
PNG
((S)-2-amino-3-(4-(4-amino-6-(biphenyl-3-ylmethylam...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCc2cccc(c2)-c2ccccc2)n1)C(O)=O
Show InChI InChI=1/C25H24N6O2/c26-21(23(32)33)14-16-9-11-19(12-10-16)22-29-24(27)31-25(30-22)28-15-17-5-4-8-20(13-17)18-6-2-1-3-7-18/h1-13,21H,14-15,26H2,(H,32,33)(H3,27,28,29,30,31)/t21-/s2
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n/an/a 38n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay


Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311542
PNG
(2-(1-(6-(benzo[b]thiophen-2-yl)pyrimidin-4-yl)pipe...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(ncn2)-c2cc3ccccc3s2)ncc1F
Show InChI InChI=1S/C21H19FN6OS/c22-15-11-24-21(27-20(15)23)29-14-5-7-28(8-6-14)19-10-16(25-12-26-19)18-9-13-3-1-2-4-17(13)30-18/h1-4,9-12,14H,5-8H2,(H2,23,24,27)
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n/an/a 38n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311606
PNG
(CHEMBL1079783 | N-((1S,3S)-3-(4-amino-5-fluoro-2-o...)
Show SMILES Nc1nc(=O)n(cc1F)[C@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1/C22H20ClFN4O2/c23-16-6-4-13(5-7-16)14-2-1-3-15(10-14)21(29)26-17-8-9-18(11-17)28-12-19(24)20(25)27-22(28)30/h1-7,10,12,17-18H,8-9,11H2,(H,26,29)(H2,25,27,30)/t17-,18-/s2
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n/an/a 42n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human deoxycytidine kinase by lysate filter binding assay


Bioorg Med Chem Lett 19: 6784-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.081
BindingDB Entry DOI: 10.7270/Q2CV4HVK
More data for this
Ligand-Target Pair
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