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Compile Data Set for Download or QSAR

Found 399 hits with Last Name = 'zhong' and Initial = 'j'   
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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50398789
PNG
(CHEMBL2180073)
Show SMILES C[C@@H](N1CC(C1)Oc1ccccc1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C21H25N5O3/c1-14(25-12-17(13-25)29-16-5-3-2-4-6-16)19-23-20-18(21(27)24-19)11-22-26(20)15-7-9-28-10-8-15/h2-6,11,14-15,17H,7-10,12-13H2,1H3,(H,23,24,27)/t14-/m1/s1
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293n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


J Med Chem 55: 9055-68 (2012)


Article DOI: 10.1021/jm3009635
BindingDB Entry DOI: 10.7270/Q2CR5VHK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50398807
PNG
(CHEMBL2180074)
Show SMILES CC(N1CC(C1)Oc1ccc(F)cc1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C21H24FN5O3/c1-13(26-11-17(12-26)30-16-4-2-14(22)3-5-16)19-24-20-18(21(28)25-19)10-23-27(20)15-6-8-29-9-7-15/h2-5,10,13,15,17H,6-9,11-12H2,1H3,(H,24,25,28)
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1.20E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


J Med Chem 55: 9055-68 (2012)


Article DOI: 10.1021/jm3009635
BindingDB Entry DOI: 10.7270/Q2CR5VHK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50398804
PNG
(CHEMBL2177497)
Show SMILES CC(N1CC(C1)Oc1ccc(cc1)C#N)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H24N6O3/c1-14(27-12-18(13-27)31-17-4-2-15(10-23)3-5-17)20-25-21-19(22(29)26-20)11-24-28(21)16-6-8-30-9-7-16/h2-5,11,14,16,18H,6-9,12-13H2,1H3,(H,25,26,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


J Med Chem 55: 9055-68 (2012)


Article DOI: 10.1021/jm3009635
BindingDB Entry DOI: 10.7270/Q2CR5VHK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50398800
PNG
(CHEMBL2180069)
Show SMILES C[C@@H](N1CC(C1)Oc1ncccn1)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C19H23N7O3/c1-12(25-10-14(11-25)29-19-20-5-2-6-21-19)16-23-17-15(18(27)24-16)9-22-26(17)13-3-7-28-8-4-13/h2,5-6,9,12-14H,3-4,7-8,10-11H2,1H3,(H,23,24,27)/t12-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


J Med Chem 55: 9055-68 (2012)


Article DOI: 10.1021/jm3009635
BindingDB Entry DOI: 10.7270/Q2CR5VHK
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50553656
PNG
(CHEMBL4744130)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4nc[nH]c34)c(F)c2)no1
PDB

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n/an/a 0.0150n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127532
BindingDB Entry DOI: 10.7270/Q2154MQ1
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50533653
PNG
(CHEMBL4519741)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)c(F)c2)no1
Show InChI InChI=1S/C19H18FN7O3/c1-19(2,3)14-7-15(27-30-14)25-18(28)24-10-4-5-13(12(20)6-10)29-17-11-8-23-26-16(11)21-9-22-17/h4-9H,1-3H3,(H,21,22,23,26)(H2,24,25,27,28)
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n/an/a 0.0380n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127532
BindingDB Entry DOI: 10.7270/Q2154MQ1
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50553658
PNG
(CHEMBL4790915)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)c2cc1OC
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n/an/a 0.0720n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127532
BindingDB Entry DOI: 10.7270/Q2154MQ1
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50553655
PNG
(CHEMBL4749639)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]ncc34)c(F)c2)no1
PDB

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n/an/a 0.292n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127532
BindingDB Entry DOI: 10.7270/Q2154MQ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565570
PNG
(CHEMBL4798376)
Show SMILES COC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCCC2)ncc1[N+]([O-])=O
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n/an/a<0.508n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565559
PNG
(CHEMBL4792017)
Show SMILES COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N(C)C)ncc1[N+]([O-])=O
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n/an/a<0.508n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565572
PNG
(CHEMBL4800688)
Show SMILES COC(=O)c1sccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)ncc1C(F)(F)F
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n/an/a<0.508n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565556
PNG
(CHEMBL4787929)
Show SMILES COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)ncc1[N+]([O-])=O
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n/an/a<0.508n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565569
PNG
(CHEMBL4780069)
Show SMILES COC(=O)c1ccccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)ncc1[N+]([O-])=O
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n/an/a<0.508n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565571
PNG
(CHEMBL4790038)
Show SMILES COC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N(C)C)ncc1[N+]([O-])=O
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n/an/a 0.577n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50553660
PNG
(CHEMBL4761091)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)ncnc2cn1
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127532
BindingDB Entry DOI: 10.7270/Q2154MQ1
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50533653
PNG
(CHEMBL4519741)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)c(F)c2)no1
Show InChI InChI=1S/C19H18FN7O3/c1-19(2,3)14-7-15(27-30-14)25-18(28)24-10-4-5-13(12(20)6-10)29-17-11-8-23-26-16(11)21-9-22-17/h4-9H,1-3H3,(H,21,22,23,26)(H2,24,25,27,28)
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human partial length FLT3 ITD mutant expressed in bacterial expression system by Kinomescan method


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127532
BindingDB Entry DOI: 10.7270/Q2154MQ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565558
PNG
(CHEMBL4783888)
Show SMILES COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2)N2CCC(O)CC2)ncc1[N+]([O-])=O
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n/an/a 1.30n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565583
PNG
(CHEMBL4780169)
Show SMILES COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N(C)C)ncc1Br
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n/an/a 1.40n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50553661
PNG
(CHEMBL4781811)
Show SMILES COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)c2cc1OC
PDB

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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127532
BindingDB Entry DOI: 10.7270/Q2154MQ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565555
PNG
(CHEMBL4795375)
Show SMILES COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCCC2)ncc1[N+]([O-])=O
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n/an/a 1.60n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565586
PNG
(CHEMBL4799529)
Show SMILES COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N(C)C)ncc1C
PDB
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n/an/a 1.90n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50533659
PNG
(CHEMBL4444648)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)c(Cl)c2)no1
Show InChI InChI=1S/C19H18ClN7O3/c1-19(2,3)14-7-15(27-30-14)25-18(28)24-10-4-5-13(12(20)6-10)29-17-11-8-23-26-16(11)21-9-22-17/h4-9H,1-3H3,(H,21,22,23,26)(H2,24,25,27,28)
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n/an/a 2n/an/an/an/an/an/a



Sichuan University/Collaborative Innovation Center of Biotherapy

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged FLT3 (564 to end residues) expressed by baculovirus in Sf21 insect cells measured after 10 mins...


J Med Chem 59: 8293-305 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00604
BindingDB Entry DOI: 10.7270/Q20Z76SQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565585
PNG
(CHEMBL4776291)
Show SMILES COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCCC2)ncc1C
PDB
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n/an/a 2.20n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402023
PNG
(BI 6727 | VOLASERTIB)
Show SMILES CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O |r,wU:2.1,22.22,wD:25.29,(-16.91,4.13,;-15.37,4.13,;-14.97,2.64,;-13.64,3.41,;-13.64,4.95,;-14.97,5.72,;-12.31,5.72,;-12.31,2.64,;-10.97,3.41,;-9.64,2.64,;-8.31,3.41,;-6.97,2.64,;-5.64,3.41,;-4.3,2.64,;-4.3,1.1,;-5.64,.33,;-6.97,1.1,;-8.31,.33,;-8.31,-1.21,;-3.22,.01,;-3.22,-1.53,;-2.13,1.1,;-.79,.33,;.54,1.1,;1.87,.33,;1.87,-1.21,;.54,-1.98,;-.79,-1.21,;3.21,-1.98,;3.21,-3.52,;4.54,-4.29,;5.88,-3.52,;7.21,-4.29,;8.54,-3.52,;8.94,-2.03,;9.71,-3.37,;5.88,-1.98,;4.54,-1.21,;-9.64,1.1,;-10.97,.33,;-12.31,1.1,;-13.64,.33,;-13.64,-1.21,;-14.97,1.1,;-16.31,.33,)|
Show InChI InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565577
PNG
(CHEMBL4784741)
Show SMILES COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N(C)C)ncc1C#N
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n/an/a 2.70n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50300690
PNG
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127532
BindingDB Entry DOI: 10.7270/Q2154MQ1
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50553674
PNG
(CHEMBL4763034)
Show SMILES CCOc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)c2cc1OCC
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n/an/a 3.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127532
BindingDB Entry DOI: 10.7270/Q2154MQ1
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50553664
PNG
(CHEMBL4765203)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)ccnc2cc1OCCCN1CCOCC1
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127532
BindingDB Entry DOI: 10.7270/Q2154MQ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565573
PNG
(CHEMBL4785567)
Show SMILES COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCCC2)ncc1C(F)(F)F
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n/an/a 3.30n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565582
PNG
(CHEMBL4790028)
Show SMILES COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCCC2)ncc1Br
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n/an/a 3.40n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50553658
PNG
(CHEMBL4790915)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)c2cc1OC
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n/an/a 3.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 ITD/D835Y double mutant (unknown origin) expressed in mouse BaF3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127532
BindingDB Entry DOI: 10.7270/Q2154MQ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565564
PNG
(CHEMBL4784781)
Show SMILES COC(=O)c1ccsc1Nc1nc(Nc2ccc(cc2OC)N2CCN(C)CC2)ncc1[N+]([O-])=O
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n/an/a 3.70n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565576
PNG
(CHEMBL4779654)
Show SMILES COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCCC2)ncc1C#N
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n/an/a 3.80n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565581
PNG
(CHEMBL4800085)
Show SMILES COC(=O)c1sccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)ncc1Br
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n/an/a 4.30n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565557
PNG
(CHEMBL4800017)
Show SMILES COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1[N+]([O-])=O
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n/an/a 4.40n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565574
PNG
(CHEMBL4783122)
Show SMILES COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N(C)C)ncc1C(F)(F)F
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n/an/a 4.60n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565552
PNG
(CHEMBL4787496)
Show SMILES COC(=O)c1sccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(C)CC2)ncc1[N+]([O-])=O
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n/an/a 4.70n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50553665
PNG
(CHEMBL4763828)
Show SMILES COCCOc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)c2cc1OC
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n/an/a 4.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127532
BindingDB Entry DOI: 10.7270/Q2154MQ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565584
PNG
(CHEMBL4778470)
Show SMILES COC(=O)c1sccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)ncc1C
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n/an/a 4.70n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50553672
PNG
(CHEMBL4791482)
Show SMILES COCCOc1cc2c(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)ccnc2cc1OC
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n/an/a 4.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127532
BindingDB Entry DOI: 10.7270/Q2154MQ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565575
PNG
(CHEMBL4778422)
Show SMILES COC(=O)c1sccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)ncc1C#N
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n/an/a 4.90n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565565
PNG
(CHEMBL4796797)
Show SMILES COC(=O)c1ccsc1Nc1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1[N+]([O-])=O
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n/an/a 5n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50533653
PNG
(CHEMBL4519741)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)c(F)c2)no1
Show InChI InChI=1S/C19H18FN7O3/c1-19(2,3)14-7-15(27-30-14)25-18(28)24-10-4-5-13(12(20)6-10)29-17-11-8-23-26-16(11)21-9-22-17/h4-9H,1-3H3,(H,21,22,23,26)(H2,24,25,27,28)
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n/an/a 5n/an/an/an/an/an/a



Sichuan University/Collaborative Innovation Center of Biotherapy

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged FLT3 (564 to end residues) expressed by baculovirus in Sf21 insect cells measured after 10 mins...


J Med Chem 59: 8293-305 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00604
BindingDB Entry DOI: 10.7270/Q20Z76SQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50553664
PNG
(CHEMBL4765203)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)ccnc2cc1OCCCN1CCOCC1
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n/an/a 5.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 ITD/D835Y double mutant (unknown origin) expressed in mouse BaF3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127532
BindingDB Entry DOI: 10.7270/Q2154MQ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565561
PNG
(CHEMBL4799183)
Show SMILES COC(=O)c1ccsc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)ncc1[N+]([O-])=O
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n/an/a 5.10n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50553662
PNG
(CHEMBL4795857)
Show SMILES CCOc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)c2cc1OC
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n/an/a 5.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127532
BindingDB Entry DOI: 10.7270/Q2154MQ1
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50553675
PNG
(CHEMBL4750430)
Show SMILES COCCOc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)c2cc1OCCOC
PDB

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n/an/a 5.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127532
BindingDB Entry DOI: 10.7270/Q2154MQ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50565562
PNG
(CHEMBL4790807)
Show SMILES COC(=O)c1ccsc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCCC2)ncc1[N+]([O-])=O
PDB
MMDB

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UniProtKB/SwissProt

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UniChem
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n/an/a 5.30n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112697
BindingDB Entry DOI: 10.7270/Q2PK0KWC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50553665
PNG
(CHEMBL4763828)
Show SMILES COCCOc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)c2cc1OC
PDB

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n/an/a 5.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 ITD/D835Y double mutant (unknown origin) expressed in mouse BaF3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127532
BindingDB Entry DOI: 10.7270/Q2154MQ1
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50553671
PNG
(CHEMBL4749484)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)c2cc1OCCCN1CCOCC1
PDB

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n/an/a 5.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127532
BindingDB Entry DOI: 10.7270/Q2154MQ1
More data for this
Ligand-Target Pair
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