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Compile Data Set for Download or QSAR

Found 1045 hits with Last Name = 'kim' and Initial = 'nd'   
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
Cyclin-Y


(Homo sapiens)
BDBM50535590
PNG
(CHEMBL4563703)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(Cl)c(C(=O)Nc2c[nH]nc2C(=O)NC2CCN(CC2)S(=O)(=O)c2cccc(NC(=O)C=C)c2)c1Cl
Show InChI InChI=1S/C26H26Cl2N6O6S/c1-3-21(35)30-16-5-4-6-17(13-16)41(38,39)34-11-9-15(10-12-34)31-26(37)24-19(14-29-33-24)32-25(36)22-18(27)7-8-20(40-2)23(22)28/h3-8,13-15H,1,9-12H2,2H3,(H,29,33)(H,30,35)(H,31,37)(H,32,36)
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n/an/a 0.400n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay


Bioorg Med Chem Lett 29: 1985-1993 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.024
BindingDB Entry DOI: 10.7270/Q29P355R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50193013
PNG
(Duvelisib | INK-1147 | INK-1197 | IPI-145)
Show SMILES C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1
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n/an/a<0.5n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay


ACS Med Chem Lett 7: 908-912 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00209
BindingDB Entry DOI: 10.7270/Q27P91B0
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50596833
PNG
(CHEMBL5193966)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCN(CC3)C(C)C)n2)c1Cl
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50596833
PNG
(CHEMBL5193966)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCN(CC3)C(C)C)n2)c1Cl
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50596832
PNG
(CHEMBL5198569)
Show SMILES CCN1CCN(CC1)c1cccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50596831
PNG
(CHEMBL5177100)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n2)c1Cl |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50596830
PNG
(CHEMBL5179166)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50355393
PNG
(BGJ398 | CHEMBL1834657 | US9434697, BGJ398 | US973...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50596852
PNG
(CHEMBL5193739)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(C)c3)n2)c1Cl
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50596833
PNG
(CHEMBL5193966)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCN(CC3)C(C)C)n2)c1Cl
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50596833
PNG
(CHEMBL5193966)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCN(CC3)C(C)C)n2)c1Cl
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50596834
PNG
(CHEMBL5181852)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCNCC3)n2)c1Cl
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50596834
PNG
(CHEMBL5181852)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCNCC3)n2)c1Cl
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50596832
PNG
(CHEMBL5198569)
Show SMILES CCN1CCN(CC1)c1cccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)c1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50596831
PNG
(CHEMBL5177100)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n2)c1Cl |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM418817
PNG
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
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TBA

Assay Description
Inhibition of recombinant FAK (unknown origin) by radiometric kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00459
BindingDB Entry DOI: 10.7270/Q2TT4VSH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50355393
PNG
(BGJ398 | CHEMBL1834657 | US9434697, BGJ398 | US973...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50596830
PNG
(CHEMBL5179166)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50596831
PNG
(CHEMBL5177100)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n2)c1Cl |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50596832
PNG
(CHEMBL5198569)
Show SMILES CCN1CCN(CC1)c1cccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50596833
PNG
(CHEMBL5193966)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCN(CC3)C(C)C)n2)c1Cl
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50596834
PNG
(CHEMBL5181852)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCNCC3)n2)c1Cl
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50355393
PNG
(BGJ398 | CHEMBL1834657 | US9434697, BGJ398 | US973...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50596830
PNG
(CHEMBL5179166)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50525939
PNG
(Balversa | Erdafitinib | Jnj-42756493)
Show SMILES COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(nc2c1)-c1cnn(C)c1
Show InChI InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM301310
PNG
(3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(mo...)
Show SMILES CCN1C(=O)N(Cc2cnc3[nH]c(CN4CCOCC4)cc3c12)c1c(F)c(OC)cc(OC)c1F
Show InChI InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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<0.510n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using EAIYAAPFAKKK substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50596831
PNG
(CHEMBL5177100)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n2)c1Cl |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50596832
PNG
(CHEMBL5198569)
Show SMILES CCN1CCN(CC1)c1cccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50596831
PNG
(CHEMBL5177100)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n2)c1Cl |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50596832
PNG
(CHEMBL5198569)
Show SMILES CCN1CCN(CC1)c1cccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50355393
PNG
(BGJ398 | CHEMBL1834657 | US9434697, BGJ398 | US973...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50355393
PNG
(BGJ398 | CHEMBL1834657 | US9434697, BGJ398 | US973...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50413752
PNG
(CHEMBL2012519 | L-783277)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,14,20,22H,3-8H2,1-2H3/t11-,14?/m0/s1
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n/an/a 0.730n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR3 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Cyclin-Y


(Homo sapiens)
BDBM50535569
PNG
(CHEMBL4535078)
Show SMILES OC(=O)C(F)(F)F.COc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(CC1)S(=O)(=O)c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C26H27ClN6O6S/c1-3-22(34)29-17-6-4-7-18(14-17)40(37,38)33-12-10-16(11-13-33)30-26(36)24-20(15-28-32-24)31-25(35)23-19(27)8-5-9-21(23)39-2/h3-9,14-16H,1,10-13H2,2H3,(H,28,32)(H,29,34)(H,30,36)(H,31,35)
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n/an/a 0.800n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay


Bioorg Med Chem Lett 29: 1985-1993 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.024
BindingDB Entry DOI: 10.7270/Q29P355R
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50596830
PNG
(CHEMBL5179166)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))
BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 0.940n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human ALK6 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay


J Med Chem 60: 1495-1508 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01679
BindingDB Entry DOI: 10.7270/Q2TQ63S4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM301310
PNG
(3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(mo...)
Show SMILES CCN1C(=O)N(Cc2cnc3[nH]c(CN4CCOCC4)cc3c12)c1c(F)c(OC)cc(OC)c1F
Show InChI InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50596834
PNG
(CHEMBL5181852)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(c3)C3CCNCC3)n2)c1Cl
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Cyclin-Y


(Homo sapiens)
BDBM50535532
PNG
(CHEMBL4534124)
Show SMILES OC(=O)C(F)(F)F.CN(C)C\C=C\C(=O)Nc1cccc(CN2CCC(CC2)NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C29H33Cl2N7O3/c1-37(2)13-5-10-25(39)33-21-7-3-6-19(16-21)18-38-14-11-20(12-15-38)34-29(41)27-24(17-32-36-27)35-28(40)26-22(30)8-4-9-23(26)31/h3-10,16-17,20H,11-15,18H2,1-2H3,(H,32,36)(H,33,39)(H,34,41)(H,35,40)/b10-5+
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay


Bioorg Med Chem Lett 29: 1985-1993 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.024
BindingDB Entry DOI: 10.7270/Q29P355R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50038473
PNG
(CHEMBL3354844 | US9216981, 18)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccoc2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12
Show InChI InChI=1S/C20H13F2N7O3S/c21-13-3-4-14(29-33(30,31)11-5-7-32-8-11)15(22)17(13)28-19-12(2-1-6-23-19)16-18-20(26-9-24-16)27-10-25-18/h1-10,29H,(H,23,28)(H,24,25,26,27)
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n/an/a 1n/an/an/an/a7.230



Medpacto, Inc.

US Patent


Assay Description
To check the B-Raf kinase inhibitory activity of the compounds of the present invention, the following experiments were conducted.(1) Serial Signalin...


US Patent US9216981 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3XCR
More data for this
Ligand-Target Pair
Cyclin-Y


(Homo sapiens)
BDBM50535520
PNG
(CHEMBL4560035)
Show SMILES OC(=O)C(F)(F)F.Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(Cc2cccc(NC(=O)C=C)c2)CC1
Show InChI InChI=1S/C26H26Cl2N6O3/c1-2-22(35)30-18-6-3-5-16(13-18)15-34-11-9-17(10-12-34)31-26(37)24-21(14-29-33-24)32-25(36)23-19(27)7-4-8-20(23)28/h2-8,13-14,17H,1,9-12,15H2,(H,29,33)(H,30,35)(H,31,37)(H,32,36)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay


Bioorg Med Chem Lett 29: 1985-1993 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.024
BindingDB Entry DOI: 10.7270/Q29P355R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459208
PNG
(CHEMBL4214342)
Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(nc3)N3CCN(CC3)C(C)=O)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C33H32F3N9O3/c1-20-7-8-25(39-30(47)22-5-4-6-24(15-22)33(34,35)36)16-27(20)45-19-23-17-38-31(41-29(23)42(3)32(45)48)40-26-9-10-28(37-18-26)44-13-11-43(12-14-44)21(2)46/h4-10,15-18H,11-14,19H2,1-3H3,(H,39,47)(H,38,40,41)
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n/an/a 1n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM197687
PNG
(US9216981, 15)
Show SMILES Fc1ccc(NS(=O)(=O)c2ccco2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12
Show InChI InChI=1S/C20H13F2N7O3S/c21-12-5-6-13(29-33(30,31)14-4-2-8-32-14)15(22)17(12)28-19-11(3-1-7-23-19)16-18-20(26-9-24-16)27-10-25-18/h1-10,29H,(H,23,28)(H,24,25,26,27)
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n/an/a 1n/an/an/an/a7.230



Medpacto, Inc.

US Patent


Assay Description
To check the B-Raf kinase inhibitory activity of the compounds of the present invention, the following experiments were conducted.(1) Serial Signalin...


US Patent US9216981 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3XCR
More data for this
Ligand-Target Pair
Cyclin-Y


(Homo sapiens)
BDBM50535547
PNG
(CHEMBL4522564)
Show SMILES OC(=O)C(F)(F)F.Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(CC1)S(=O)(=O)c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C25H24Cl2N6O5S/c1-2-21(34)29-16-5-3-6-17(13-16)39(37,38)33-11-9-15(10-12-33)30-25(36)23-20(14-28-32-23)31-24(35)22-18(26)7-4-8-19(22)27/h2-8,13-15H,1,9-12H2,(H,28,32)(H,29,34)(H,30,36)(H,31,35)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay


Bioorg Med Chem Lett 29: 1985-1993 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.024
BindingDB Entry DOI: 10.7270/Q29P355R
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50413752
PNG
(CHEMBL2012519 | L-783277)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,14,20,22H,3-8H2,1-2H3/t11-,14?/m0/s1
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Article
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n/an/a 1.10n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human FLT4 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by scintillation counting method


J Med Chem 60: 1495-1508 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01679
BindingDB Entry DOI: 10.7270/Q2TQ63S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50509140
PNG
(CHEMBL4453304)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(c1)[C@@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:23|
Show InChI InChI=1S/C22H22O7/c1-12-5-3-8-17(23)21(26)20(25)14-7-4-6-13(9-14)16-10-15(28-2)11-18(24)19(16)22(27)29-12/h3-4,6-12,20-21,24-26H,5H2,1-2H3/b8-3-/t12-,20+,21+/m0/s1
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Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR3 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50509146
PNG
(CHEMBL4303275)
Show SMILES CCn1c(N)c(C(=O)NC)c(=O)c2ccc(nc12)C#C[C@@](C)(O)COC |r|
Show InChI InChI=1S/C18H22N4O4/c1-5-22-15(19)13(17(24)20-3)14(23)12-7-6-11(21-16(12)22)8-9-18(2,25)10-26-4/h6-7,25H,5,10,19H2,1-4H3,(H,20,24)/t18-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR3 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50596850
PNG
(CHEMBL5200941)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(CCCN(C)C)c3)n2)c1Cl
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50596851
PNG
(CHEMBL5204120)
Show SMILES COc1cc(OC)c(Cl)c(Nc2ncccc2-c2ncnc(Nc3cnn(CC=C)c3)n2)c1Cl
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01776
BindingDB Entry DOI: 10.7270/Q2765KCQ
More data for this
Ligand-Target Pair
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