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6 similar compounds to monomer 50168267

Compile data set for download or QSAR
Wt: 412.5
BDBM50168265
Wt: 412.5
BDBM50168266
Wt: 386.4
BDBM50168268
Wt: 442.5
BDBM50168274
Wt: 428.5
BDBM50168276
Wt: 476.5
BDBM50168280

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50168265,50168266,50168268,50168274,50168276,50168280   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50168265
PNG
((S)-1-[(S)-2-Amino-4-(1-tert-butyl-6-methoxy-3,4-d...)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N)C(C)(C)C
Show InChI InChI=1S/C23H32N4O3/c1-23(2,3)21-18-8-7-17(30-4)12-15(18)9-11-27(21)20(28)13-19(25)22(29)26-10-5-6-16(26)14-24/h7-8,12,16,19,21H,5-6,9-11,13,25H2,1-4H3/t16-,19-,21?/m0/s1
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n/an/a 72n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase IV [DPP-IV]


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50168266
PNG
((S)-1-[(S)-2-Amino-4-(1-tert-butyl-7-methoxy-3,4-d...)
Show SMILES COc1ccc2CCN(C(c2c1)C(C)(C)C)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C23H32N4O3/c1-23(2,3)21-18-12-17(30-4)8-7-15(18)9-11-27(21)20(28)13-19(25)22(29)26-10-5-6-16(26)14-24/h7-8,12,16,19,21H,5-6,9-11,13,25H2,1-4H3/t16-,19-,21?/m0/s1
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n/an/a 2.71E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase 8


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50168268
PNG
((S)-1-[(S)-2-Amino-4-(6,7-dimethoxy-3,4-dihydro-1H...)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H26N4O4/c1-27-17-8-13-5-7-23(12-14(13)9-18(17)28-2)19(25)10-16(22)20(26)24-6-3-4-15(24)11-21/h8-9,15-16H,3-7,10,12,22H2,1-2H3/t15-,16-/m0/s1
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n/an/a 3.13E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against DPP-II [Quiescent cell proline dipeptidase] or DPP-VII


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50168268
PNG
((S)-1-[(S)-2-Amino-4-(6,7-dimethoxy-3,4-dihydro-1H...)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H26N4O4/c1-27-17-8-13-5-7-23(12-14(13)9-18(17)28-2)19(25)10-16(22)20(26)24-6-3-4-15(24)11-21/h8-9,15-16H,3-7,10,12,22H2,1-2H3/t15-,16-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase IV [DPP-IV]


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50168265
PNG
((S)-1-[(S)-2-Amino-4-(1-tert-butyl-6-methoxy-3,4-d...)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N)C(C)(C)C
Show InChI InChI=1S/C23H32N4O3/c1-23(2,3)21-18-8-7-17(30-4)12-15(18)9-11-27(21)20(28)13-19(25)22(29)26-10-5-6-16(26)14-24/h7-8,12,16,19,21H,5-6,9-11,13,25H2,1-4H3/t16-,19-,21?/m0/s1
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n/an/a 1.44E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase 8


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50168268
PNG
((S)-1-[(S)-2-Amino-4-(6,7-dimethoxy-3,4-dihydro-1H...)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H26N4O4/c1-27-17-8-13-5-7-23(12-14(13)9-18(17)28-2)19(25)10-16(22)20(26)24-6-3-4-15(24)11-21/h8-9,15-16H,3-7,10,12,22H2,1-2H3/t15-,16-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase 8


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50168280
PNG
((S)-1-[(S)-2-Amino-4-(1-benzyl-6,7-dimethoxy-3,4-d...)
Show SMILES COc1cc2CCN(C(Cc3ccccc3)c2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C27H32N4O4/c1-34-24-14-19-10-12-31(26(32)16-22(29)27(33)30-11-6-9-20(30)17-28)23(21(19)15-25(24)35-2)13-18-7-4-3-5-8-18/h3-5,7-8,14-15,20,22-23H,6,9-13,16,29H2,1-2H3/t20-,22-,23?/m0/s1
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n/an/a 220n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase 8


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50168276
PNG
((S)-1-[(S)-2-Amino-4-(1-isopropyl-6,7-dimethoxy-3,...)
Show SMILES COc1cc2CCN(C(C(C)C)c2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C23H32N4O4/c1-14(2)22-17-11-20(31-4)19(30-3)10-15(17)7-9-27(22)21(28)12-18(25)23(29)26-8-5-6-16(26)13-24/h10-11,14,16,18,22H,5-9,12,25H2,1-4H3/t16-,18-,22?/m0/s1
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n/an/a 47n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase IV [DPP-IV]


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50168266
PNG
((S)-1-[(S)-2-Amino-4-(1-tert-butyl-7-methoxy-3,4-d...)
Show SMILES COc1ccc2CCN(C(c2c1)C(C)(C)C)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C23H32N4O3/c1-23(2,3)21-18-12-17(30-4)8-7-15(18)9-11-27(21)20(28)13-19(25)22(29)26-10-5-6-16(26)14-24/h7-8,12,16,19,21H,5-6,9-11,13,25H2,1-4H3/t16-,19-,21?/m0/s1
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n/an/a 195n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase IV [DPP-IV]


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50168274
PNG
((S)-1-[(S)-2-Amino-4-(1-tert-butyl-6,7-dimethoxy-3...)
Show SMILES COc1cc2CCN(C(c2cc1OC)C(C)(C)C)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C24H34N4O4/c1-24(2,3)22-17-12-20(32-5)19(31-4)11-15(17)8-10-28(22)21(29)13-18(26)23(30)27-9-6-7-16(27)14-25/h11-12,16,18,22H,6-10,13,26H2,1-5H3/t16-,18-,22?/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase 8


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50168280
PNG
((S)-1-[(S)-2-Amino-4-(1-benzyl-6,7-dimethoxy-3,4-d...)
Show SMILES COc1cc2CCN(C(Cc3ccccc3)c2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C27H32N4O4/c1-34-24-14-19-10-12-31(26(32)16-22(29)27(33)30-11-6-9-20(30)17-28)23(21(19)15-25(24)35-2)13-18-7-4-3-5-8-18/h3-5,7-8,14-15,20,22-23H,6,9-13,16,29H2,1-2H3/t20-,22-,23?/m0/s1
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n/an/a 97n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase IV [DPP-IV]


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50168276
PNG
((S)-1-[(S)-2-Amino-4-(1-isopropyl-6,7-dimethoxy-3,...)
Show SMILES COc1cc2CCN(C(C(C)C)c2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C23H32N4O4/c1-14(2)22-17-11-20(31-4)19(30-3)10-15(17)7-9-27(22)21(28)12-18(25)23(29)26-8-5-6-16(26)13-24/h10-11,14,16,18,22H,5-9,12,25H2,1-4H3/t16-,18-,22?/m0/s1
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n/an/a 439n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase 8


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50168274
PNG
((S)-1-[(S)-2-Amino-4-(1-tert-butyl-6,7-dimethoxy-3...)
Show SMILES COc1cc2CCN(C(c2cc1OC)C(C)(C)C)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C24H34N4O4/c1-24(2,3)22-17-12-20(32-5)19(31-4)11-15(17)8-10-28(22)21(29)13-18(26)23(30)27-9-6-7-16(27)14-25/h11-12,16,18,22H,6-10,13,26H2,1-5H3/t16-,18-,22?/m0/s1
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n/an/a 73n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase IV [DPP-IV]


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair