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Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'weng' and Initial = 'y'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343759
PNG
(1-ethyl-3-(4-(6-(2-hydroxypropan-2-yl)-4-morpholin...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2sc(cc2n1)C(C)(C)O
Show InChI InChI=1S/C22H27N5O3S/c1-4-23-21(28)24-15-7-5-14(6-8-15)19-25-16-13-17(22(2,3)29)31-18(16)20(26-19)27-9-11-30-12-10-27/h5-8,13,29H,4,9-12H2,1-3H3,(H2,23,24,28)
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3n/an/an/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal FLAG-tagged mTOR (1362-end residues) in presence of [gamma33P]ATP after 40 mins


Eur J Med Chem 129: 135-150 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.015
BindingDB Entry DOI: 10.7270/Q2QN692K
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50438750
PNG
(CHEMBL2414884)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H26F6N2O5/c21-19(22,23)12-5-11(6-13(8-12)20(24,25)26)7-16(31)27-3-1-2-4-28-9-15(30)18(33)17(32)14(28)10-29/h5-6,8,14-15,17-18,29-30,32-33H,1-4,7,9-10H2,(H,27,31)/t14-,15+,17-,18-/m1/s1
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71n/an/an/an/an/an/an/an/a



Genomics Research Center

Curated by ChEMBL


Assay Description
Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method


Bioorg Med Chem 21: 5021-8 (2013)


Article DOI: 10.1016/j.bmc.2013.06.054
BindingDB Entry DOI: 10.7270/Q2XG9SJX
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50341385
PNG
(CHEMBL4161567)
Show SMILES Cc1[nH]c2c(N3CCC4(CCNC4=O)CC3)c(C#N)c(nc2c1Cl)C(F)(F)F
Show InChI InChI=1S/C18H17ClF3N5O/c1-9-11(19)12-13(25-9)14(10(8-23)15(26-12)18(20,21)22)27-6-3-17(4-7-27)2-5-24-16(17)28/h25H,2-7H2,1H3,(H,24,28)
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82n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327358
PNG
(CHEMBL4168403)
Show SMILES Cc1[nH]c2c(N3CCC(N)(CC3)C(N)=O)c(C#N)c(nc2c1Cl)C(F)(F)F
Show InChI InChI=1S/C16H16ClF3N6O/c1-7-9(17)10-11(24-7)12(8(6-21)13(25-10)16(18,19)20)26-4-2-15(23,3-5-26)14(22)27/h24H,2-5,23H2,1H3,(H2,22,27)
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250n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50438754
PNG
(CHEMBL2414880)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)CC1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C25H32N2O5/c28-15-21-24(31)25(32)22(29)14-27(21)12-6-5-11-26-23(30)13-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20-22,24-25,28-29,31-32H,5-6,11-15H2,(H,26,30)/t21-,22+,24-,25-/m1/s1
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400n/an/an/an/an/an/an/an/a



Genomics Research Center

Curated by ChEMBL


Assay Description
Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method


Bioorg Med Chem 21: 5021-8 (2013)


Article DOI: 10.1016/j.bmc.2013.06.054
BindingDB Entry DOI: 10.7270/Q2XG9SJX
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50438752
PNG
(CHEMBL2414882)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H38N2O5/c34-22-26-29(37)30(38)27(35)21-33(26)19-11-10-18-32-28(36)20-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17,26-27,29-30,34-35,37-38H,10-11,18-22H2,(H,32,36)/t26-,27+,29-,30-/m1/s1
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400n/an/an/an/an/an/an/an/a



Genomics Research Center

Curated by ChEMBL


Assay Description
Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method


Bioorg Med Chem 21: 5021-8 (2013)


Article DOI: 10.1016/j.bmc.2013.06.054
BindingDB Entry DOI: 10.7270/Q2XG9SJX
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327363
PNG
(CHEMBL4176684)
Show SMILES Cc1[nH]c2c(N3CCC(O)CC3)c(C#N)c(nc2c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H27N3O/c1-20-9-7-10-21(19-20)13-14-24-25(27-23-12-4-3-11-22(23)26-24)29-18-8-17-28-15-5-2-6-16-28/h3-4,7,9-12,19H,2,5-6,8,15-18H2,1H3
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440n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327360
PNG
(CHEMBL4168827)
Show SMILES CN1CCC2(CCN(CC2)c2c(C#N)c(nc3c(Cl)c(C)[nH]c23)C(F)(F)F)C1=O
Show InChI InChI=1S/C27H36N6O2/c1-27(2,3)19-8-10-20(11-9-19)29-26(34)30-21-12-13-22-23(18-21)31-24(25(32-22)35-4)28-14-17-33-15-6-5-7-16-33/h8-13,18H,5-7,14-17H2,1-4H3,(H,28,31)(H2,29,30,34)
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530n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327362
PNG
(CHEMBL4159390)
Show SMILES OCC(O)CSCc1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(=O)N\N=C\c1cccc(F)c1
Show InChI InChI=1S/C23H23N3O/c1-18-8-10-19(11-9-18)12-13-22-23(27-17-16-26-14-4-5-15-26)25-21-7-3-2-6-20(21)24-22/h2-3,6-11H,4-5,14-17H2,1H3
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690n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50341383
PNG
(CHEMBL4175607)
Show SMILES Cc1[nH]c2c(N3CCO[C@H](CO)C3)c(C#N)c(nc2c1Cl)C(F)(F)F
Show InChI InChI=1S/C15H14ClF3N4O2/c1-7-10(16)11-12(21-7)13(23-2-3-25-8(5-23)6-24)9(4-20)14(22-11)15(17,18)19/h8,21,24H,2-3,5-6H2,1H3/t8-/m0/s1
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750n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50438753
PNG
(CHEMBL2414881)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)C1CCc2ccccc2C1
Show InChI InChI=1S/C21H32N2O5/c24-13-17-19(26)20(27)18(25)12-23(17)10-4-3-9-22-21(28)16-8-7-14-5-1-2-6-15(14)11-16/h1-2,5-6,16-20,24-27H,3-4,7-13H2,(H,22,28)/t16?,17-,18+,19-,20-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Genomics Research Center

Curated by ChEMBL


Assay Description
Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method


Bioorg Med Chem 21: 5021-8 (2013)


Article DOI: 10.1016/j.bmc.2013.06.054
BindingDB Entry DOI: 10.7270/Q2XG9SJX
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50438748
PNG
(CHEMBL2414879)
Show SMILES COc1ccc2CCC(CC(=O)NCCCCN3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)c2c1
Show InChI InChI=1S/C22H34N2O6/c1-30-16-7-6-14-4-5-15(17(14)11-16)10-20(27)23-8-2-3-9-24-12-19(26)22(29)21(28)18(24)13-25/h6-7,11,15,18-19,21-22,25-26,28-29H,2-5,8-10,12-13H2,1H3,(H,23,27)/t15?,18-,19+,21-,22-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Genomics Research Center

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method


Bioorg Med Chem 21: 5021-8 (2013)


Article DOI: 10.1016/j.bmc.2013.06.054
BindingDB Entry DOI: 10.7270/Q2XG9SJX
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Genomics Research Center

Curated by ChEMBL


Assay Description
Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method


Bioorg Med Chem 21: 5021-8 (2013)


Article DOI: 10.1016/j.bmc.2013.06.054
BindingDB Entry DOI: 10.7270/Q2XG9SJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327357
PNG
(CHEMBL4164986)
Show SMILES Cc1[nH]c2c(N3CCO[C@@H](CO)C3)c(C#N)c(nc2c1Cl)C(F)(F)F
Show InChI InChI=1S/C15H14ClF3N4O2/c1-7-10(16)11-12(21-7)13(23-2-3-25-8(5-23)6-24)9(4-20)14(22-11)15(17,18)19/h8,21,24H,2-3,5-6H2,1H3/t8-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327355
PNG
(CHEMBL4164691)
Show SMILES Cc1cc2nc(c(C#N)c(N3CCC4(CCNC4=O)CC3)c2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O/c1-10-8-12-13(24-10)14(11(9-22)15(25-12)18(19,20)21)26-6-3-17(4-7-26)2-5-23-16(17)27/h8,24H,2-7H2,1H3,(H,23,27)
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2.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327359
PNG
(CHEMBL4160507)
Show SMILES Cc1[nH]c2c(N3CCC(N)CC3)c(C#N)c(nc2c1Cl)C(F)(F)F
Show InChI InChI=1S/C15H15ClF3N5/c1-7-10(16)11-12(22-7)13(24-4-2-8(21)3-5-24)9(6-20)14(23-11)15(17,18)19/h8,22H,2-5,21H2,1H3
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2.30E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50438751
PNG
(CHEMBL2414883)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)COc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H26Cl2N2O6/c19-12-4-3-11(7-13(12)20)28-10-16(25)21-5-1-2-6-22-8-15(24)18(27)17(26)14(22)9-23/h3-4,7,14-15,17-18,23-24,26-27H,1-2,5-6,8-10H2,(H,21,25)/t14-,15+,17-,18-/m1/s1
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3.20E+3n/an/an/an/an/an/an/an/a



Genomics Research Center

Curated by ChEMBL


Assay Description
Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method


Bioorg Med Chem 21: 5021-8 (2013)


Article DOI: 10.1016/j.bmc.2013.06.054
BindingDB Entry DOI: 10.7270/Q2XG9SJX
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50438749
PNG
(CHEMBL2414888)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H38N2O5/c34-21-26-29(37)30(38)27(22-35)33(26)19-11-10-18-32-28(36)20-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17,26-27,29-30,34-35,37-38H,10-11,18-22H2,(H,32,36)/t26-,27-,29-,30-/m1/s1
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4.10E+3n/an/an/an/an/an/an/an/a



Genomics Research Center

Curated by ChEMBL


Assay Description
Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method


Bioorg Med Chem 21: 5021-8 (2013)


Article DOI: 10.1016/j.bmc.2013.06.054
BindingDB Entry DOI: 10.7270/Q2XG9SJX
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327361
PNG
(CHEMBL4172179)
Show SMILES FC(F)(F)c1nc2cc[nH]c2c(N2CCC3(CCNC3=O)CC2)c1C#N
Show InChI InChI=1S/C20H19N3O/c1-23(2)14-15-24-20-19(13-12-16-8-4-3-5-9-16)21-17-10-6-7-11-18(17)22-20/h3-11H,14-15H2,1-2H3
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1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327356
PNG
(CHEMBL4172584)
Show SMILES Cc1cc2nc(c(C#N)c(N3CCC(CC3)Nc3ccccn3)c2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N6/c1-12-10-15-17(26-12)18(14(11-24)19(28-15)20(21,22)23)29-8-5-13(6-9-29)27-16-4-2-3-7-25-16/h2-4,7,10,13,26H,5-6,8-9H2,1H3,(H,25,27)
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1.40E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50341384
PNG
(CHEMBL4170023)
Show SMILES COc1ccc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)c(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClF3N2O4S/c1-31-16-9-10-19(18(12-16)20(28)26-15-7-5-14(22)6-8-15)27-32(29,30)17-4-2-3-13(11-17)21(23,24)25/h2-12,27H,1H3,(H,26,28)
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>2.50E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S.ClH/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15;/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24);1H
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n/an/a 0.100n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3 D835Y mutant (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 D835Y phosphorylation at 0.1 to 10...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S.ClH/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15;/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24);1H
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n/an/a 0.100n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3 ITD mutant (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 ITD phosphorylation at 0.1 to 1000 n...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S.ClH/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15;/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24);1H
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n/an/a 0.100n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3 (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 phosphorylation at 0.1 to 1000 nM after 1 hr by...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tyrosine kinase 2 kinase


Bioorg Med Chem Lett 12: 1219-23 (2002)


Article DOI: 10.1016/s0960-894x(02)00106-3
BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of protein kinase Jak 2


Bioorg Med Chem Lett 12: 1219-23 (2002)


Article DOI: 10.1016/s0960-894x(02)00106-3
BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S.ClH/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15;/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24);1H
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n/an/a 3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human C-src using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma ATP by hotspot kinase assay


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50348452
PNG
(AZD-8055 | CHEMBL1801204 | US9102670, 1a)
Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C
Show InChI InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal FLAG-tagged mTOR (1362-end residues) in presence of [gamma33P]ATP after 40 mins


Eur J Med Chem 129: 135-150 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.015
BindingDB Entry DOI: 10.7270/Q2QN692K
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S.ClH/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15;/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24);1H
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n/an/a 4.90n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human TRKA using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma ATP by hotspot kinase assay


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of protein kinase Jak 3


Bioorg Med Chem Lett 12: 1219-23 (2002)


Article DOI: 10.1016/s0960-894x(02)00106-3
BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM35615
PNG
(pyrazolo pyrimidine, 5u)
Show SMILES C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc2[nH]ccc2c1)N1CCOCC1)c1cccnc1
Show InChI InChI=1S/C28H30N8O/c1-2-20(17-29-8-1)19-34-10-6-23(7-11-34)36-28-24(18-31-36)27(35-12-14-37-15-13-35)32-26(33-28)22-3-4-25-21(16-22)5-9-30-25/h1-5,8-9,16-18,23,30H,6-7,10-15,19H2
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n/an/a 9n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


Eur J Med Chem 129: 135-150 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.015
BindingDB Entry DOI: 10.7270/Q2QN692K
More data for this
Ligand-Target Pair
Ketohexokinase (KHK) Isoform C


(Homo sapiens (Human))
BDBM50380246
PNG
(CHEMBL2017214)
Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1
Show InChI InChI=1S/C21H26N8S/c1-30-16-5-3-2-4-15(16)26-20-17-18(19(25-13-24-17)23-12-14-6-7-14)27-21(28-20)29-10-8-22-9-11-29/h2-5,13-14,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of KHK (unknown origin) using D-fructose as substrate after 60 mins in presence of ATP by LC-MS analysis


J Med Chem 60: 7835-7849 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00947
BindingDB Entry DOI: 10.7270/Q2H997CM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Mus musculus)
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of murine Jak 1 protein kinase


Bioorg Med Chem Lett 12: 1219-23 (2002)


Article DOI: 10.1016/s0960-894x(02)00106-3
BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50519727
PNG
(CHEMBL4448198)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)ncn1
Show InChI InChI=1S/C18H21N7S.ClH/c1-2-24-7-9-25(10-8-24)17-11-16(21-13-22-17)23-18-20-12-15(26-18)14-3-5-19-6-4-14;/h3-6,11-13H,2,7-10H2,1H3,(H,20,21,22,23);1H
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n/an/a 20n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50519732
PNG
(CHEMBL4483070)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccccc2)nc(C)n1
Show InChI InChI=1S/C20H24N6S.ClH/c1-3-25-9-11-26(12-10-25)19-13-18(22-15(2)23-19)24-20-21-14-17(27-20)16-7-5-4-6-8-16;/h4-8,13-14H,3,9-12H2,1-2H3,(H,21,22,23,24);1H
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n/an/a 24n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) (unknown origin) expressed in baculovir...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50519722
PNG
(CHEMBL4475875)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccccn2)nc(C)n1
Show InChI InChI=1S/C19H23N7S.ClH/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-6-4-5-7-20-15;/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24);1H
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n/an/a 24n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50519727
PNG
(CHEMBL4448198)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)ncn1
Show InChI InChI=1S/C18H21N7S.ClH/c1-2-24-7-9-25(10-8-24)17-11-16(21-13-22-17)23-18-20-12-15(26-18)14-3-5-19-6-4-14;/h3-6,11-13H,2,7-10H2,1H3,(H,20,21,22,23);1H
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n/an/a 29n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) (unknown origin) expressed in baculovir...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S.ClH/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15;/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24);1H
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n/an/a 30n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 31n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC1R)


Eur J Med Chem 129: 135-150 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.015
BindingDB Entry DOI: 10.7270/Q2QN692K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 31n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50519729
PNG
(CHEMBL4438245)
Show SMILES Cl.CN(C)C1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C20H25N7S.ClH/c1-14-23-18(12-19(24-14)27-10-6-16(7-11-27)26(2)3)25-20-22-13-17(28-20)15-4-8-21-9-5-15;/h4-5,8-9,12-13,16H,6-7,10-11H2,1-3H3,(H,22,23,24,25);1H
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n/an/a 35n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50519724
PNG
(CHEMBL4521178)
Show SMILES Cl.Cc1nc(Nc2ncc(s2)-c2ccncc2)cc(OCCN2CCOCC2)n1
Show InChI InChI=1S/C19H22N6O2S.ClH/c1-14-22-17(12-18(23-14)27-11-8-25-6-9-26-10-7-25)24-19-21-13-16(28-19)15-2-4-20-5-3-15;/h2-5,12-13H,6-11H2,1H3,(H,21,22,23,24);1H
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n/an/a 35n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50519733
PNG
(CHEMBL4446778)
Show SMILES Cl.Cc1nc(Nc2ncc(s2)-c2ccncc2)cc(n1)N1CCN(CCF)CC1
Show InChI InChI=1S/C19H22FN7S.ClH/c1-14-23-17(12-18(24-14)27-10-8-26(7-4-20)9-11-27)25-19-22-13-16(28-19)15-2-5-21-6-3-15;/h2-3,5-6,12-13H,4,7-11H2,1H3,(H,22,23,24,25);1H
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n/an/a 37n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50519732
PNG
(CHEMBL4483070)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccccc2)nc(C)n1
Show InChI InChI=1S/C20H24N6S.ClH/c1-3-25-9-11-26(12-10-25)19-13-18(22-15(2)23-19)24-20-21-14-17(27-20)16-7-5-4-6-8-16;/h4-8,13-14H,3,9-12H2,1-2H3,(H,21,22,23,24);1H
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n/an/a 38n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50095991
PNG
(CHEMBL3593290)
Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1
Show InChI InChI=1S/C19H25N7O5/c1-2-21-18(29)15-13(27)14(28)19(31-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-30-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)/t13-,14+,15+,19?/m1/s1
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n/an/a 38n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 40n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC1R)


Eur J Med Chem 129: 135-150 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.015
BindingDB Entry DOI: 10.7270/Q2QN692K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50519728
PNG
(CHEMBL4550794)
Show SMILES Cl.Cc1nc(Nc2ncc(s2)-c2ccncc2)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C19H23N7OS.ClH/c1-14-22-17(12-18(23-14)26-8-6-25(7-9-26)10-11-27)24-19-21-13-16(28-19)15-2-4-20-5-3-15;/h2-5,12-13,27H,6-11H2,1H3,(H,21,22,23,24);1H
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n/an/a 43n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50519733
PNG
(CHEMBL4446778)
Show SMILES Cl.Cc1nc(Nc2ncc(s2)-c2ccncc2)cc(n1)N1CCN(CCF)CC1
Show InChI InChI=1S/C19H22FN7S.ClH/c1-14-23-17(12-18(24-14)27-10-8-26(7-4-20)9-11-27)25-19-22-13-16(28-19)15-2-5-21-6-3-15;/h2-3,5-6,12-13H,4,7-11H2,1H3,(H,22,23,24,25);1H
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n/an/a 47n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) (unknown origin) expressed in baculovir...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 48n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) (unknown origin) expressed in baculovir...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
More data for this
Ligand-Target Pair
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