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Compile Data Set for Download or QSAR

Found 368 hits with Last Name = 'kim' and Initial = 'is'   
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50048890
PNG
(Acetic acid 2-hydroxymethyl-5-oxo-4-tetradec-(E)-y...)
Show SMILES CCCCCCCCCCCCC\C=C1/CC(CO)(COC(C)=O)OC1=O
Show InChI InChI=1S/C22H38O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-22(17-23,27-21(20)25)18-26-19(2)24/h15,23H,3-14,16-18H2,1-2H3/b20-15+
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78n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol12,13-dibutyrate from a recombinant PK-C alpha


Bioorg Med Chem Lett 8: 1757-62 (1999)


BindingDB Entry DOI: 10.7270/Q2TH8KT2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50070858
PNG
(CHEMBL49945 | Tetradecane-1-sulfonic acid 2-hydrox...)
Show SMILES CCCCCCCCCCCCCCS(=O)(=O)OCC1(CO)CCC(=O)O1
Show InChI InChI=1S/C20H38O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-27(23,24)25-18-20(17-21)15-14-19(22)26-20/h21H,2-18H2,1H3
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91n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol12,13-dibutyrate from a recombinant PK-C alpha


Bioorg Med Chem Lett 8: 1757-62 (1999)


BindingDB Entry DOI: 10.7270/Q2TH8KT2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50048889
PNG
(CHEMBL299225 | Tetradecanoic acid 2-hydroxymethyl-...)
Show SMILES CCCCCCCCCCCCCC(=O)OCC1(CO)CCC(=O)O1
Show InChI InChI=1S/C20H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)24-17-20(16-21)15-14-19(23)25-20/h21H,2-17H2,1H3
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138n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol12,13-dibutyrate from a recombinant PK-C alpha


Bioorg Med Chem Lett 8: 1757-62 (1999)


BindingDB Entry DOI: 10.7270/Q2TH8KT2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50070859
PNG
(Acetic acid 5-hydroxymethyl-2,2-dioxo-3-tetradec-(...)
Show SMILES CCCCCCCCCCCCC\C=C1/CC(CO)(COC(C)=O)OS1(=O)=O
Show InChI InChI=1S/C21H38O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-21(17-22,18-26-19(2)23)27-28(20,24)25/h15,22H,3-14,16-18H2,1-2H3/b20-15+
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320n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol12,13-dibutyrate from a recombinant PK-C alpha


Bioorg Med Chem Lett 8: 1757-62 (1999)


BindingDB Entry DOI: 10.7270/Q2TH8KT2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50070861
PNG
(CHEMBL48577 | Methanesulfonic acid 2-hydroxymethyl...)
Show SMILES CCCCCCCCCCCCC\C=C1/CC(CO)(COS(C)(=O)=O)OC1=O
Show InChI InChI=1S/C21H38O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-21(17-22,27-20(19)23)18-26-28(2,24)25/h15,22H,3-14,16-18H2,1-2H3/b19-15+
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823n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol12,13-dibutyrate from a recombinant PK-C alpha


Bioorg Med Chem Lett 8: 1757-62 (1999)


BindingDB Entry DOI: 10.7270/Q2TH8KT2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50070860
PNG
(CHEMBL51992 | Tetradecanoic acid 5-hydroxymethyl-2...)
Show SMILES CCCCCCCCCCCCCC(=O)OCC1(CO)CCS(=O)(=O)O1
Show InChI InChI=1S/C19H36O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)24-17-19(16-20)14-15-26(22,23)25-19/h20H,2-17H2,1H3
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1.04E+3n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol12,13-dibutyrate from a recombinant PK-C alpha


Bioorg Med Chem Lett 8: 1757-62 (1999)


BindingDB Entry DOI: 10.7270/Q2TH8KT2
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127189
BindingDB Entry DOI: 10.7270/Q23F4T7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50557413
PNG
(CHEMBL4758377)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccccc2I)n1 |r|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PREP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50557433
PNG
(CHEMBL4746891)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CSc2ccc(Cl)c(Cl)c2)n1 |r|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PREP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50557417
PNG
(CHEMBL4762591)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Cl)cc2Cl)n1 |r|
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TBA

Assay Description
Inhibition of PREP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557417
PNG
(CHEMBL4762591)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Cl)cc2Cl)n1 |r|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells using RHK-K(Ac)-AMC as substrate ...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50557396
PNG
(CHEMBL4747683)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CC3=NC4C=CC=CC4C(C)=N3)c(=O)c12)N1CCC[C@@H](N)C1 |r,c:17,19,24,t:14|
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DPP4 (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557416
PNG
(CHEMBL4786982)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Cl)c(Cl)c2)n1 |r|
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50543787
PNG
(CHEMBL4645582)
Show SMILES C[C@@H](Oc1cncc(c1)-c1cnn(c1)C1CCN(CC(N)=O)CC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C23H24Cl2FN5O2/c1-14(22-19(24)2-3-20(26)23(22)25)33-18-8-15(9-28-11-18)16-10-29-31(12-16)17-4-6-30(7-5-17)13-21(27)32/h2-3,8-12,14,17H,4-7,13H2,1H3,(H2,27,32)/t14-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127189
BindingDB Entry DOI: 10.7270/Q23F4T7M
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50009366
PNG
(CHEMBL3233842 | US11504364, Compound Ref.-Comp. | ...)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C17H14F2N4O2/c18-17(19)7-11(8-20)23(10-17)15(24)9-22-16(25)13-5-6-21-14-4-2-1-3-12(13)14/h1-6,11H,7,9-10H2,(H,22,25)/t11-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557415
PNG
(CHEMBL4750058)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccccc2-c2ccc3ccccc3c2)n1 |r|
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50543784
PNG
(CHEMBL4649193)
Show SMILES CC(C)N1CCC(CC1)n1cc(cn1)-c1cncc(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 |r|
Show InChI InChI=1S/C24H27Cl2FN4O/c1-15(2)30-8-6-19(7-9-30)31-14-18(12-29-31)17-10-20(13-28-11-17)32-16(3)23-21(25)4-5-22(27)24(23)26/h4-5,10-16,19H,6-9H2,1-3H3/t16-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127189
BindingDB Entry DOI: 10.7270/Q23F4T7M
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557439
PNG
(CHEMBL4758299)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)Cc1nc(cs1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50557414
PNG
(CHEMBL4748328)
Show SMILES COc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PREP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557434
PNG
(CHEMBL4780357)
Show SMILES Cc1ccc(SCc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
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TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50543785
PNG
(CHEMBL4646769)
Show SMILES C[C@@H](Oc1cncc(c1)-c1cnn(c1)C1CCN(CC2CC2)CC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C25H27Cl2FN4O/c1-16(24-22(26)4-5-23(28)25(24)27)33-21-10-18(11-29-13-21)19-12-30-32(15-19)20-6-8-31(9-7-20)14-17-2-3-17/h4-5,10-13,15-17,20H,2-3,6-9,14H2,1H3/t16-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127189
BindingDB Entry DOI: 10.7270/Q23F4T7M
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50543788
PNG
(CHEMBL4638327)
Show SMILES C[C@@H](Oc1cncc(c1)-c1cnn(c1)C1CCN(CC1)C(C)=O)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C23H23Cl2FN4O2/c1-14(22-20(24)3-4-21(26)23(22)25)32-19-9-16(10-27-12-19)17-11-28-30(13-17)18-5-7-29(8-6-18)15(2)31/h3-4,9-14,18H,5-8H2,1-2H3/t14-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127189
BindingDB Entry DOI: 10.7270/Q23F4T7M
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50469052
PNG
(CHEMBL4286383)
Show SMILES C[C@@H](Oc1cncc(c1)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H21Cl2FN4O/c1-13(20-18(22)2-3-19(24)21(20)23)29-17-8-14(9-26-11-17)15-10-27-28(12-15)16-4-6-25-7-5-16/h2-3,8-13,16,25H,4-7H2,1H3/t13-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127189
BindingDB Entry DOI: 10.7270/Q23F4T7M
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal FLAG-His-tagged HDAC1 (1 to 482 residues) expressed in Sf21 cells using RHK-K(Ac)-AMC as subst...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557442
PNG
(CHEMBL4747575)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(COc2ccc(cc2)C#N)n1 |r|
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50557410
PNG
(CHEMBL4751873)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccccc2Br)n1 |r|
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PREP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557438
PNG
(CHEMBL4789965)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CS(=O)(=O)c2ccc(cc2)C#N)n1 |r|
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 10.5n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrat...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557436
PNG
(CHEMBL4776967)
Show SMILES FC(F)(F)c1ccc(SCc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 11.1n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal His-tagged HDAC3 (1 to 428 residues)/human recombinant N-terminal GST-tagged NCOR2 expressed i...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 11.4n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged HDAC11 (1 to 347 residues) expressed in insect cells/baculovirus expression system using RHK-K(...


Eur J Med Chem 116: 126-135 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.046
BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50543791
PNG
(CHEMBL4648693)
Show SMILES C[C@@H](Oc1ccc2ncc(nc2c1)-c1cnn(CCOC(C)=O)c1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C23H19Cl2FN4O3/c1-13(22-17(24)4-5-18(26)23(22)25)33-16-3-6-19-20(9-16)29-21(11-27-19)15-10-28-30(12-15)7-8-32-14(2)31/h3-6,9-13H,7-8H2,1-2H3/t13-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127189
BindingDB Entry DOI: 10.7270/Q23F4T7M
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50543793
PNG
(CHEMBL4638210)
Show SMILES Cl.C[C@@H](Oc1cc(cnc1F)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H20Cl2F2N4O.ClH/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15;/h2-3,8-12,15,26H,4-7H2,1H3;1H/t12-;/m1./s1
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n/an/a 12n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127189
BindingDB Entry DOI: 10.7270/Q23F4T7M
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557424
PNG
(CHEMBL4753316)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(cc2)-c2ccc(cc2)C#N)n1 |r|
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50543790
PNG
(CHEMBL4642284)
Show SMILES C[C@@H](Oc1ccc2ncc(nc2c1)-c1cnn(C)c1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C20H15Cl2FN4O/c1-11(19-14(21)4-5-15(23)20(19)22)28-13-3-6-16-17(7-13)26-18(9-24-16)12-8-25-27(2)10-12/h3-11H,1-2H3/t11-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127189
BindingDB Entry DOI: 10.7270/Q23F4T7M
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557423
PNG
(CHEMBL4799823)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(cc2)C#N)n1 |r|
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50543792
PNG
(CHEMBL4636429)
Show SMILES C[C@@H](Oc1ccc2ncc(nc2c1)-c1cnn(CCO)c1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H17Cl2FN4O2/c1-12(20-15(22)3-4-16(24)21(20)23)30-14-2-5-17-18(8-14)27-19(10-25-17)13-9-26-28(11-13)6-7-29/h2-5,8-12,29H,6-7H2,1H3/t12-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127189
BindingDB Entry DOI: 10.7270/Q23F4T7M
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50557418
PNG
(CHEMBL4792518)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2cc(Cl)ccc2Cl)n1 |r|
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PREP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557412
PNG
(CHEMBL4746868)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Br)cc2)n1 |r|
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50543789
PNG
(CHEMBL4648551)
Show SMILES C[C@@H](Oc1cncc(c1)-c1cnn(c1)C1CCN(CC1)S(C)(=O)=O)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H23Cl2FN4O3S/c1-14(21-19(23)3-4-20(25)22(21)24)32-18-9-15(10-26-12-18)16-11-27-29(13-16)17-5-7-28(8-6-17)33(2,30)31/h3-4,9-14,17H,5-8H2,1-2H3/t14-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127189
BindingDB Entry DOI: 10.7270/Q23F4T7M
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50543783
PNG
(CHEMBL4635560)
Show SMILES C[C@@H](Oc1cncc(c1)-c1cnn(c1)C1CCN(C)CC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H23Cl2FN4O/c1-14(21-19(23)3-4-20(25)22(21)24)30-18-9-15(10-26-12-18)16-11-27-29(13-16)17-5-7-28(2)8-6-17/h3-4,9-14,17H,5-8H2,1-2H3/t14-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127189
BindingDB Entry DOI: 10.7270/Q23F4T7M
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557437
PNG
(CHEMBL4791505)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 |r|
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557440
PNG
(CHEMBL4759201)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1nc(cs1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557428
PNG
(CHEMBL4797479)
Show SMILES CS(=O)(=O)c1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
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TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557409
PNG
(CHEMBL4789754)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Cl)cc2)n1 |r|
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557432
PNG
(CHEMBL4781018)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CCCc2ccc(cc2)C#N)n1 |r|
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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Article
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DPP4 (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557422
PNG
(CHEMBL4744633)
Show SMILES FC(F)(F)Oc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50557429
PNG
(CHEMBL4742308)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(cc2)-n2cccn2)n1 |r|
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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
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