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Compile Data Set for Download or QSAR

Found 1105 hits with Last Name = 'atrash' and Initial = 'b'   
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
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50288303
PNG
((R)-3-((S)-2-Amino-3-methyl-pentanoyl)-thiazolidin...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CSC[C@H]1C#N
Show InChI InChI=1S/C10H17N3OS/c1-3-7(2)9(12)10(14)13-6-15-5-8(13)4-11/h7-9H,3,5-6,12H2,1-2H3/t7?,8-,9+/m1/s1
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0.410n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase IV


Bioorg Med Chem Lett 6: 2745-2748 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50288308
PNG
((R)-3-(2-Amino-2-cyclopentyl-acetyl)-thiazolidine-...)
Show SMILES NC(C1CCCC1)C(=O)N1CSC[C@H]1C#N
Show InChI InChI=1S/C11H17N3OS/c12-5-9-6-16-7-14(9)11(15)10(13)8-3-1-2-4-8/h8-10H,1-4,6-7,13H2/t9-,10?/m1/s1
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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase IV


Bioorg Med Chem Lett 6: 2745-2748 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50288307
PNG
((R)-3-(2-Amino-2-cyclohexyl-acetyl)-thiazolidine-4...)
Show SMILES NC(C1CCCCC1)C(=O)N1CSC[C@H]1C#N
Show InChI InChI=1S/C12H19N3OS/c13-6-10-7-17-8-15(10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-5,7-8,14H2/t10-,11?/m1/s1
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0.800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase IV


Bioorg Med Chem Lett 6: 2745-2748 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11644
PNG
((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...)
Show SMILES N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C12H19N3O/c13-8-10-6-3-7-15(10)12(16)11(14)9-4-1-2-5-9/h9-11H,1-7,14H2/t10-,11-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11644
PNG
((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...)
Show SMILES N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C12H19N3O/c13-8-10-6-3-7-15(10)12(16)11(14)9-4-1-2-5-9/h9-11H,1-7,14H2/t10-,11-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase IV


Bioorg Med Chem Lett 6: 2745-2748 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50288298
PNG
((S)-3-((S)-2-Amino-3-methyl-pentanoyl)-thiazolidin...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CCS[C@H]1C#N
Show InChI InChI=1S/C10H17N3OS/c1-3-7(2)9(12)10(14)13-4-5-15-8(13)6-11/h7-9H,3-5,12H2,1-2H3/t7?,8-,9-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase IV


Bioorg Med Chem Lett 6: 2745-2748 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4)


(Homo sapiens (human))
BDBM50213844
PNG
(CHEMBL3350819)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C#N
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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet glycoprotein alpha IIb beta3 integrin in ELISA


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50288299
PNG
((S)-1-((S)-2-Amino-3-methyl-pentanoyl)-pyrrolidine...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C11H19N3O/c1-3-8(2)10(13)11(15)14-6-4-5-9(14)7-12/h8-10H,3-6,13H2,1-2H3/t8?,9-,10-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase IV


Bioorg Med Chem Lett 6: 2745-2748 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50050521
PNG
((2-Dihydroxyborane-pyrrolidin-1-yl)-pyrrolidin-2-y...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1
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Article
3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50151003
PNG
((S)-1-((S)-2-Amino-3,3-dimethyl-butyryl)-pyrrolidi...)
Show SMILES CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C11H19N3O/c1-11(2,3)9(13)10(15)14-6-4-5-8(14)7-12/h8-9H,4-6,13H2,1-3H3/t8-,9+/m0/s1
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3.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50288297
PNG
(CHEMBL92175 | [5-Amino-1-((R)-4-cyano-thiazolidine...)
Show SMILES NCCCCC(NC(=O)OCc1ccccc1)C(=O)N1CSC[C@H]1C#N
Show InChI InChI=1S/C18H24N4O3S/c19-9-5-4-8-16(17(23)22-13-26-12-15(22)10-20)21-18(24)25-11-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-9,11-13,19H2,(H,21,24)/t15-,16?/m1/s1
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase IV


Bioorg Med Chem Lett 6: 2745-2748 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4)


(Homo sapiens (human))
BDBM50243604
PNG
((S)-1-((S)-2,6-diaminohexanoyl)pyrrolidine-2-carbo...)
Show SMILES NCCCC[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C11H20N4O/c12-6-2-1-5-10(14)11(16)15-7-3-4-9(15)8-13/h9-10H,1-7,12,14H2/t9-,10-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50288301
PNG
((R)-3-((S)-2-Amino-3-methyl-pentanoyl)-1,1-dioxo-t...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CS(=O)(=O)C[C@H]1C#N
Show InChI InChI=1S/C10H17N3O3S/c1-3-7(2)9(12)10(14)13-6-17(15,16)5-8(13)4-11/h7-9H,3,5-6,12H2,1-2H3/t7?,8-,9+/m1/s1
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21n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase IV


Bioorg Med Chem Lett 6: 2745-2748 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11056
PNG
((2S)-1-[(2S)-pyrrolidin-2-ylcarbonyl]pyrrolidine-2...)
Show SMILES O=C([C@@H]1CCCN1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C10H15N3O/c11-7-8-3-2-6-13(8)10(14)9-4-1-5-12-9/h8-9,12H,1-6H2/t8-,9-/m0/s1
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22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4)


(Homo sapiens (human))
BDBM50450427
PNG
(CHEMBL2115247)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1C[S+]([O-])C[C@H]1C#N
Show InChI InChI=1S/C10H17N3O2S/c1-3-7(2)9(12)10(14)13-6-16(15)5-8(13)4-11/h7-9H,3,5-6,12H2,1-2H3/t7-,8+,9-,16?/m0/s1
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34n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase IV


Bioorg Med Chem Lett 6: 2745-2748 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4)


(Homo sapiens (human))
BDBM12191
PNG
((2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCCC1
Show InChI InChI=1S/C12H22N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h10-11H,1-9,13H2/t11-/m0/s1
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64n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50287066
PNG
(2-Amino-2-cyclopentyl-1-pyrrolidin-1-yl-ethanone |...)
Show SMILES NC(C1CCCC1)C(=O)N1CCCC1
Show InChI InChI=1S/C11H20N2O/c12-10(9-5-1-2-6-9)11(14)13-7-3-4-8-13/h9-10H,1-8,12H2
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210n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50288306
PNG
((S)-1-((S)-2-Amino-3-methyl-pentanoyl)-piperidine-...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CCCC[C@H]1C#N
Show InChI InChI=1S/C12H21N3O/c1-3-9(2)11(14)12(16)15-7-5-4-6-10(15)8-13/h9-11H,3-7,14H2,1-2H3/t9?,10-,11-/m0/s1
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260n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase IV


Bioorg Med Chem Lett 6: 2745-2748 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50118943
PNG
((2S,3S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)pentan...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCCC1
Show InChI InChI=1S/C10H20N2O/c1-3-8(2)9(11)10(13)12-6-4-5-7-12/h8-9H,3-7,11H2,1-2H3/t8-,9-/m0/s1
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410n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4)


(Homo sapiens (human))
BDBM50118943
PNG
((2S,3S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)pentan...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCCC1
Show InChI InChI=1S/C10H20N2O/c1-3-8(2)9(11)10(13)12-6-4-5-7-12/h8-9H,3-7,11H2,1-2H3/t8-,9-/m0/s1
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440n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50450427
PNG
(CHEMBL2115247)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1C[S+]([O-])C[C@H]1C#N
Show InChI InChI=1S/C10H17N3O2S/c1-3-7(2)9(12)10(14)13-6-16(15)5-8(13)4-11/h7-9H,3,5-6,12H2,1-2H3/t7-,8+,9-,16?/m0/s1
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440n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase IV


Bioorg Med Chem Lett 6: 2745-2748 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50288300
PNG
((R)-3-((S)-2-Amino-3-methyl-pentanoyl)-oxazolidine...)
Show SMILES CCC(C)[C@H](N)C(=O)N1COC[C@H]1C#N
Show InChI InChI=1S/C10H17N3O2/c1-3-7(2)9(12)10(14)13-6-15-5-8(13)4-11/h7-9H,3,5-6,12H2,1-2H3/t7?,8-,9+/m1/s1
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450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase IV


Bioorg Med Chem Lett 6: 2745-2748 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4)


(Homo sapiens (human))
BDBM50178428
PNG
((S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-on...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCCC1
Show InChI InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1
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470n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet glycoprotein alpha IIb beta3 integrin in ELISA


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50287065
PNG
(CHEMBL16521 | CHEMBL3350816 | benzyl N-[6-amino-1-...)
Show SMILES NCCCCC(NC(=O)OCc1ccccc1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H27N3O3/c19-11-5-4-10-16(17(22)21-12-6-7-13-21)20-18(23)24-14-15-8-2-1-3-9-15/h1-3,8-9,16H,4-7,10-14,19H2,(H,20,23)
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520n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50287064
PNG
(2-Amino-3,3-dimethyl-1-pyrrolidin-1-yl-butan-1-one...)
Show SMILES CC(C)(C)C(N)C(=O)N1CCCC1
Show InChI InChI=1S/C10H20N2O/c1-10(2,3)8(11)9(13)12-6-4-5-7-12/h8H,4-7,11H2,1-3H3
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880n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50287060
PNG
(3-Hydroxy-2-methylamino-1-pyrrolidin-1-yl-butan-1-...)
Show SMILES CNC(C(C)O)C(=O)N1CCCC1
Show InChI InChI=1S/C9H18N2O2/c1-7(12)8(10-2)9(13)11-5-3-4-6-11/h7-8,10,12H,3-6H2,1-2H3
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900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50287061
PNG
(CHEMBL16587 | CHEMBL3350817 | [4-Amino-1-(pyrrolid...)
Show SMILES NCCCC(NC(=O)OCc1ccccc1)C(=O)N1CCCC1
Show InChI InChI=1S/C17H25N3O3/c18-10-6-9-15(16(21)20-11-4-5-12-20)19-17(22)23-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13,18H2,(H,19,22)
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910n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50243495
PNG
((S)-2-amino-1-(pyrrolidin-1-yl)hexan-1-one | CHEMB...)
Show SMILES CCCC[C@H](N)C(=O)N1CCCC1
Show InChI InChI=1S/C10H20N2O/c1-2-3-6-9(11)10(13)12-7-4-5-8-12/h9H,2-8,11H2,1H3/t9-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50243411
PNG
((S)-4-amino-5-oxo-5-(pyrrolidin-1-yl)pentanoic aci...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCCC1
Show InChI InChI=1S/C9H16N2O3/c10-7(3-4-8(12)13)9(14)11-5-1-2-6-11/h7H,1-6,10H2,(H,12,13)/t7-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4)


(Homo sapiens (human))
BDBM50228295
PNG
((S)-pyrrolidin-1-yl(pyrrolidin-2-yl)methanone | CH...)
Show SMILES O=C([C@@H]1CCCN1)N1CCCC1
Show InChI InChI=1S/C9H16N2O/c12-9(8-4-3-5-10-8)11-6-1-2-7-11/h8,10H,1-7H2/t8-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet glycoprotein alpha IIb beta3 integrin in ELISA


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50118932
PNG
((S)-2-Amino-3-cyclohexyl-1-pyrrolidin-1-yl-propan-...)
Show SMILES N[C@@H](CC1CCCCC1)C(=O)N1CCCC1
Show InChI InChI=1S/C13H24N2O/c14-12(10-11-6-2-1-3-7-11)13(16)15-8-4-5-9-15/h11-12H,1-10,14H2/t12-/m0/s1
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2.15E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50287063
PNG
(4-Amino-5-oxo-5-pyrrolidin-1-yl-pentanoic acid ben...)
Show SMILES NC(CCC(=O)OCc1ccccc1)C(=O)N1CCCC1
Show InChI InChI=1S/C16H22N2O3/c17-14(16(20)18-10-4-5-11-18)8-9-15(19)21-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,17H2
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2.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50288304
PNG
((S)-1-((S)-2-Amino-3-methyl-pentanoyl)-2-methyl-py...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CCC[C@@]1(C)C#N
Show InChI InChI=1S/C12H21N3O/c1-4-9(2)10(14)11(16)15-7-5-6-12(15,3)8-13/h9-10H,4-7,14H2,1-3H3/t9?,10-,12-/m0/s1
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4.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase IV


Bioorg Med Chem Lett 6: 2745-2748 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50243453
PNG
((2S,3R)-2-amino-3-hydroxy-1-(pyrrolidin-1-yl)butan...)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCCC1
Show InChI InChI=1S/C8H16N2O2/c1-6(11)7(9)8(12)10-4-2-3-5-10/h6-7,11H,2-5,9H2,1H3/t6-,7+/m1/s1
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4.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50287062
PNG
(2-Amino-2-phenyl-1-pyrrolidin-1-yl-ethanone | CHEM...)
Show SMILES NC(C(=O)N1CCCC1)c1ccccc1
Show InChI InChI=1S/C12H16N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h1-3,6-7,11H,4-5,8-9,13H2
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5.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50287067
PNG
(2-Benzylamino-3-hydroxy-1-pyrrolidin-1-yl-propan-1...)
Show SMILES OCC(NCc1ccccc1)C(=O)N1CCCC1
Show InChI InChI=1S/C14H20N2O2/c17-11-13(14(18)16-8-4-5-9-16)15-10-12-6-2-1-3-7-12/h1-3,6-7,13,15,17H,4-5,8-11H2
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6.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50288305
PNG
(3-((S)-2-Amino-3-methyl-pentanoyl)-[1,3]thiazinane...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CSCCC1C#N
Show InChI InChI=1S/C11H19N3OS/c1-3-8(2)10(13)11(15)14-7-16-5-4-9(14)6-12/h8-10H,3-5,7,13H2,1-2H3/t8?,9?,10-/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase IV


Bioorg Med Chem Lett 6: 2745-2748 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4)


(Homo sapiens (human))
BDBM50243406
PNG
((S)-2-amino-1-(pyrrolidin-1-yl)propan-1-one | CHEM...)
Show SMILES C[C@H](N)C(=O)N1CCCC1
Show InChI InChI=1S/C7H14N2O/c1-6(8)7(10)9-4-2-3-5-9/h6H,2-5,8H2,1H3/t6-/m0/s1
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7.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4)


(Homo sapiens (human))
BDBM50243412
PNG
((S)-3-amino-4-oxo-4-(pyrrolidin-1-yl)butanoic acid...)
Show SMILES N[C@@H](CC(O)=O)C(=O)N1CCCC1
Show InChI InChI=1S/C8H14N2O3/c9-6(5-7(11)12)8(13)10-3-1-2-4-10/h6H,1-5,9H2,(H,11,12)/t6-/m0/s1
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1.45E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet glycoprotein alpha IIb beta3 integrin in ELISA


Bioorg Med Chem Lett 6: 1163-1166 (1996)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241341
PNG
(US9409907, 185)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC3(C)CCOC3)c2n1)-c1cnn(C)c1CO
Show InChI InChI=1/C25H29N7O3/c1-25(7-9-35-15-25)14-28-23-22-17(6-8-26-23)11-27-24(31-22)30-19-5-4-16(10-21(19)34-3)18-12-29-32(2)20(18)13-33/h4-6,8,10-12,33H,7,9,13-15H2,1-3H3,(H,26,28)(H,27,30,31)
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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM241345
PNG
(US9409907, 189)
Show SMILES CCOc1cc(ccc1Nc1ncc2ccnc(NCC3(C)CCOC3)c2n1)-c1nncn1C
Show InChI InChI=1/C24H28N8O2/c1-4-34-19-11-16(22-31-28-15-32(22)3)5-6-18(19)29-23-26-12-17-7-9-25-21(20(17)30-23)27-13-24(2)8-10-33-14-24/h5-7,9,11-12,15H,4,8,10,13-14H2,1-3H3,(H,25,27)(H,26,29,30)
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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230969
PNG
(US9334286, 95)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)C(=O)N1CC2(C1)CCOC2
Show InChI InChI=1S/C30H33N5O4/c1-29(2,37)16-35-15-24(14-32-35)20-4-5-22-13-31-27(12-23(22)10-20)33-25-7-6-21(11-26(25)38-3)28(36)34-17-30(18-34)8-9-39-19-30/h4-7,10-15,37H,8-9,16-19H2,1-3H3,(H,31,33)
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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230976
PNG
(US9334286, 103)
Show SMILES CCOc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nncn1C
Show InChI InChI=1S/C26H28N8O2/c1-5-36-23-10-17(25-32-28-16-33(25)4)6-9-21(23)31-24-11-22-18(12-27-24)7-8-20(30-22)19-13-29-34(14-19)15-26(2,3)35/h6-14,16,35H,5,15H2,1-4H3,(H,27,31)
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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230978
PNG
(US9334286, 105)
Show SMILES COc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nncn1C
Show InChI InChI=1S/C25H26N8O2/c1-25(2,34)14-33-13-18(12-28-33)19-7-6-17-11-26-23(10-21(17)29-19)30-20-8-5-16(9-22(20)35-4)24-31-27-15-32(24)3/h5-13,15,34H,14H2,1-4H3,(H,26,30)
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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230979
PNG
(US9334286, 106)
Show SMILES COc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC2(O)CCC2)c1)-c1cnc(C)n1C
Show InChI InChI=1S/C28H29N7O2/c1-18-29-15-25(34(18)2)19-5-8-23(26(11-19)37-3)33-27-12-24-20(13-30-27)6-7-22(32-24)21-14-31-35(16-21)17-28(36)9-4-10-28/h5-8,11-16,36H,4,9-10,17H2,1-3H3,(H,30,33)
PDB
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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM229974
PNG
(US9334286, 2)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC2CC2)c1)-c1cnc(C)n1C
Show InChI InChI=1S/C28H28N6O/c1-18-29-15-26(33(18)2)21-8-9-25(27(11-21)35-3)32-28-12-23-10-20(6-7-22(23)13-30-28)24-14-31-34(17-24)16-19-4-5-19/h6-15,17,19H,4-5,16H2,1-3H3,(H,30,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230915
PNG
(US9334286, 41)
Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nncn1C
Show InChI InChI=1S/C26H27N7O2/c1-26(2,34)15-33-14-21(13-29-33)17-5-6-19-12-27-24(11-20(19)9-17)30-22-8-7-18(10-23(22)35-4)25-31-28-16-32(25)3/h5-14,16,34H,15H2,1-4H3,(H,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM230937
PNG
(US9334286, 63)
Show SMILES COCc1ncc(-c2ccc(Nc3cc4cc(ccc4cn3)-c3cnn(CC(C)(C)O)c3)c(OC)c2)n1C
Show InChI InChI=1S/C29H32N6O3/c1-29(2,36)18-35-16-23(14-32-35)19-6-7-21-13-30-27(12-22(21)10-19)33-24-9-8-20(11-26(24)38-5)25-15-31-28(17-37-4)34(25)3/h6-16,36H,17-18H2,1-5H3,(H,30,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...


Citation and Details
More data for this
Ligand-Target Pair
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