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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase I' AND taxid = 10090   
Target
(Institution)
LigandTarget
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 I


(Mus musculus)
BDBM50147181
PNG
(3-{[1-(2-Amino-acetylamino)-3-methyl-butyl]-hydrox...)
Show SMILES CC(C)CC(NC(=O)CN)P(O)(=O)CCC(O)=O
Show InChI InChI=1S/C10H21N2O5P/c1-7(2)5-9(12-8(13)6-11)18(16,17)4-3-10(14)15/h7,9H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)
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3.90E+4n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit cathepsin C (Dipeptidyl peptidase I) in non competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM50147182
PNG
(3-{[1-(2-Amino-acetylamino)-3-methyl-butyl]-hydrox...)
Show SMILES COC(=O)CCP(O)(=O)C(CC(C)C)NC(=O)CN
Show InChI InChI=1S/C11H23N2O5P/c1-8(2)6-10(13-9(14)7-12)19(16,17)5-4-11(15)18-3/h8,10H,4-7,12H2,1-3H3,(H,13,14)(H,16,17)
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4.00E+4n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit cathepsin C (Dipeptidyl peptidase I) in non competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM50147183
PNG
(3-{[(2-Amino-acetylamino)-phenyl-methyl]-hydroxy-p...)
Show SMILES NCC(=O)NC(c1ccccc1)P(O)(=O)CCC(O)=O
Show InChI InChI=1S/C12H17N2O5P/c13-8-10(15)14-12(9-4-2-1-3-5-9)20(18,19)7-6-11(16)17/h1-5,12H,6-8,13H2,(H,14,15)(H,16,17)(H,18,19)
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1.76E+5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit cathepsin C (Dipeptidyl peptidase I) in non competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM50147185
PNG
(3-{[1-(2-Amino-acetylamino)-3-phenyl-propyl]-hydro...)
Show SMILES NCC(=O)NC(CCc1ccccc1)P(O)(=O)CCC(O)=O
Show InChI InChI=1S/C14H21N2O5P/c15-10-12(17)16-13(22(20,21)9-8-14(18)19)7-6-11-4-2-1-3-5-11/h1-5,13H,6-10,15H2,(H,16,17)(H,18,19)(H,20,21)
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1.87E+5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit cathepsin C (Dipeptidyl peptidase I) in non competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM50147180
PNG
(3-{[(2-Amino-acetylamino)-phenyl-methyl]-hydroxy-p...)
Show SMILES COC(=O)CCP(O)(=O)C(NC(=O)CN)c1ccccc1
Show InChI InChI=1S/C13H19N2O5P/c1-20-12(17)7-8-21(18,19)13(15-11(16)9-14)10-5-3-2-4-6-10/h2-6,13H,7-9,14H2,1H3,(H,15,16)(H,18,19)
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1.88E+5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit cathepsin C (Dipeptidyl peptidase I) in non competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM50147184
PNG
(3-{[1-(2-Amino-acetylamino)-3-phenyl-propyl]-hydro...)
Show SMILES COC(=O)CCP(O)(=O)C(CCc1ccccc1)NC(=O)CN
Show InChI InChI=1S/C15H23N2O5P/c1-22-15(19)9-10-23(20,21)14(17-13(18)11-16)8-7-12-5-3-2-4-6-12/h2-6,14H,7-11,16H2,1H3,(H,17,18)(H,20,21)
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3.12E+5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit cathepsin C (Dipeptidyl peptidase I) in non competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM50147187
PNG
(3-{[1-(2-Amino-acetylamino)-2-phenyl-ethyl]-hydrox...)
Show SMILES NCC(=O)NC(Cc1ccccc1)P(O)(=O)CCC(O)=O
Show InChI InChI=1S/C13H19N2O5P/c14-9-11(16)15-12(8-10-4-2-1-3-5-10)21(19,20)7-6-13(17)18/h1-5,12H,6-9,14H2,(H,15,16)(H,17,18)(H,19,20)
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4.29E+5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit cathepsin C (Dipeptidyl peptidase I) in non competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM50147186
PNG
(3-{[1-(2-Amino-acetylamino)-2-phenyl-ethyl]-hydrox...)
Show SMILES COC(=O)CCP(O)(=O)C(Cc1ccccc1)NC(=O)CN
Show InChI InChI=1S/C14H21N2O5P/c1-21-14(18)7-8-22(19,20)13(16-12(17)10-15)9-11-5-3-2-4-6-11/h2-6,13H,7-10,15H2,1H3,(H,16,17)(H,19,20)
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5.14E+5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit cathepsin C (Dipeptidyl peptidase I) in non competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Mus musculus)
BDBM50276520
PNG
((2R,4R)-4-fluoro-1-(2-(4-methyl-1-(methylsulfonyl)...)
Show SMILES CC1(CCN(CC1)S(C)(=O)=O)NCC(=O)N1C[C@H](F)C[C@@H]1C#N
Show InChI InChI=1S/C14H23FN4O3S/c1-14(3-5-18(6-4-14)23(2,21)22)17-9-13(20)19-10-11(15)7-12(19)8-16/h11-12,17H,3-7,9-10H2,1-2H3/t11-,12-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of mouse DPP4


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Mus musculus)
BDBM50210527
PNG
((1S,2R,5S)-5-(3-(trifluoromethyl)-5,6-dihydroimida...)
Show SMILES N[C@H]1C[C@H](CCC1c1cc(F)c(F)cc1F)N1CCn2c(C1)ncc2C(F)(F)F
Show InChI InChI=1S/C19H20F6N4/c20-13-7-15(22)14(21)6-12(13)11-2-1-10(5-16(11)26)28-3-4-29-17(19(23,24)25)8-27-18(29)9-28/h6-8,10-11,16H,1-5,9,26H2/t10-,11?,16-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DPP4


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Mus musculus)
BDBM50232502
PNG
((2R)-4-[(8S)-8-methyl-3-(trifluoromethyl)-5,6-dihy...)
Show SMILES C[C@@H]1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-26-16(17(21,22)23)28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DPP4 at 1 mg/kg


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81407
PNG
(ML4118 | ML4118R | ML4118S)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)(N)C1CCCC1
Show InChI InChI=1S/C22H28F4N4O2/c1-3-4-9-16(17(31)12-32-21-19(25)14(23)10-15(24)20(21)26)30-11-18(28-29-30)22(2,27)13-7-5-6-8-13/h10-11,13,16H,3-9,12,27H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Mus musculus)
BDBM50003020
PNG
(MK-3102 | OMARIGLIPTIN)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in mouse plasma


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Mus musculus)
BDBM50296490
PNG
((7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahy...)
Show SMILES N[C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cnccc21
Show InChI InChI=1S/C16H13F3N4/c17-10-5-12(19)11(18)3-8(10)9-4-16-22-14-6-21-2-1-15(14)23(16)7-13(9)20/h1-3,5-6,9,13H,4,7,20H2/t9-,13+/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6N mouse DPP4


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Mus musculus)
BDBM11162
PNG
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DPP4 at 3 mg/kg


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase IV


(Mus musculus)
BDBM50390183
PNG
(CHEMBL2069830)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)c1ccc(F)cc1F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H20F5N3O/c21-13-1-2-19(18(25)9-13)27-3-5-28(6-4-27)20(29)10-14(26)7-12-8-16(23)17(24)11-15(12)22/h1-2,8-9,11,14H,3-7,10,26H2/t14-/m1/s1
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n/an/a 94.4n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse DPP4


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81407
PNG
(ML4118 | ML4118R | ML4118S)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)(N)C1CCCC1
Show InChI InChI=1S/C22H28F4N4O2/c1-3-4-9-16(17(31)12-32-21-19(25)14(23)10-15(24)20(21)26)30-11-18(28-29-30)22(2,27)13-7-5-6-8-13/h10-11,13,16H,3-9,12,27H2,1-2H3
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n/an/a 186n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81404
PNG
(ML4161)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(N)(CC)CC
Show InChI InChI=1S/C20H26F4N4O2/c1-4-7-8-14(28-10-16(26-27-28)20(25,5-2)6-3)15(29)11-30-19-17(23)12(21)9-13(22)18(19)24/h9-10,14H,4-8,11,25H2,1-3H3
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n/an/a 410n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81405
PNG
(ML4123)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)(N)CCC
Show InChI InChI=1S/C20H26F4N4O2/c1-4-6-7-14(28-10-16(26-27-28)20(3,25)8-5-2)15(29)11-30-19-17(23)12(21)9-13(22)18(19)24/h9-10,14H,4-8,11,25H2,1-3H3
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n/an/a 410n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81414
PNG
(ML6076)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C1(C)CCCN1
Show InChI InChI=1S/C20H24F4N4O2/c1-3-4-6-14(28-10-16(26-27-28)20(2)7-5-8-25-20)15(29)11-30-19-17(23)12(21)9-13(22)18(19)24/h9-10,14,25H,3-8,11H2,1-2H3
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n/an/a 420n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81403
PNG
(HN3019)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C1(N)CCCCC1
Show InChI InChI=1S/C21H26F4N4O2/c1-2-3-7-15(29-11-17(27-28-29)21(26)8-5-4-6-9-21)16(30)12-31-20-18(24)13(22)10-14(23)19(20)25/h10-11,15H,2-9,12,26H2,1H3
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n/an/a 560n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81406
PNG
(ML4124)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(N)(CCC)CCC
Show InChI InChI=1S/C22H30F4N4O2/c1-4-7-8-16(30-12-18(28-29-30)22(27,9-5-2)10-6-3)17(31)13-32-21-19(25)14(23)11-15(24)20(21)26/h11-12,16H,4-10,13,27H2,1-3H3
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n/an/a 700n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81397
PNG
(ML4057)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)N
Show InChI InChI=1S/C17H20F4N4O2/c1-3-4-5-13(25-7-12(9(2)22)23-24-25)14(26)8-27-17-15(20)10(18)6-11(19)16(17)21/h6-7,9,13H,3-5,8,22H2,1-2H3
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n/an/a 700n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81399
PNG
(ML4046A)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(N)C1CCCCC1
Show InChI InChI=1S/C23H30F4N4O2/c1-3-4-10-17(18(32)13-33-22-20(26)15(24)11-16(25)21(22)27)31-12-19(29-30-31)23(2,28)14-8-6-5-7-9-14/h11-12,14,17H,3-10,13,28H2,1-2H3/t17?,23-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81398
PNG
(ML4066)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)(C)N
Show InChI InChI=1S/C18H22F4N4O2/c1-4-5-6-12(26-8-14(24-25-26)18(2,3)23)13(27)9-28-17-15(21)10(19)7-11(20)16(17)22/h7-8,12H,4-6,9,23H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81413
PNG
(ML5004)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(CCC)(CCC)NC
Show InChI InChI=1S/C23H32F4N4O2/c1-5-8-9-17(18(32)14-33-22-20(26)15(24)12-16(25)21(22)27)31-13-19(29-30-31)23(28-4,10-6-2)11-7-3/h12-13,17,28H,5-11,14H2,1-4H3
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n/an/a 7.70E+3n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81415
PNG
(ML4091)
Show SMILES CCCCC(C(=O)COC(=O)c1c(C)cccc1C)n1cc(nn1)C1(N)CCCCC1
Show InChI InChI=1S/C24H34N4O3/c1-4-5-12-19(28-15-21(26-27-28)24(25)13-7-6-8-14-24)20(29)16-31-23(30)22-17(2)10-9-11-18(22)3/h9-11,15,19H,4-8,12-14,16,25H2,1-3H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



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Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81407
PNG
(ML4118 | ML4118R | ML4118S)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)(N)C1CCCC1
Show InChI InChI=1S/C22H28F4N4O2/c1-3-4-9-16(17(31)12-32-21-19(25)14(23)10-15(24)20(21)26)30-11-18(28-29-30)22(2,27)13-7-5-6-8-13/h10-11,13,16H,3-9,12,27H2,1-2H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81412
PNG
(ML4154)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C1(N)CCN(CC1)C(N)=O
Show InChI InChI=1S/C21H26F4N6O3/c1-2-3-4-14(15(32)11-34-19-17(24)12(22)9-13(23)18(19)25)31-10-16(28-29-31)21(27)5-7-30(8-6-21)20(26)33/h9-10,14H,2-8,11,27H2,1H3,(H2,26,33)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81411
PNG
(ML4163)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C1(N)CCN(CC1)C(C)=O
Show InChI InChI=1S/C22H27F4N5O3/c1-3-4-5-16(17(33)12-34-21-19(25)14(23)10-15(24)20(21)26)31-11-18(28-29-31)22(27)6-8-30(9-7-22)13(2)32/h10-11,16H,3-9,12,27H2,1-2H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81400
PNG
(ML4046B)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@](C)(N)C1CCCCC1
Show InChI InChI=1S/C23H30F4N4O2/c1-3-4-10-17(18(32)13-33-22-20(26)15(24)11-16(25)21(22)27)31-12-19(29-30-31)23(2,28)14-8-6-5-7-9-14/h11-12,14,17H,3-10,13,28H2,1-2H3/t17?,23-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



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Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81410
PNG
(ML4162)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C1(N)CCNCC1
Show InChI InChI=1S/C20H25F4N5O2/c1-2-3-4-14(29-10-16(27-28-29)20(25)5-7-26-8-6-20)15(30)11-31-19-17(23)12(21)9-13(22)18(19)24/h9-10,14,26H,2-8,11,25H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81402
PNG
(ML4068)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(N)Cc1ccccc1
Show InChI InChI=1S/C23H24F4N4O2/c1-2-3-9-19(20(32)13-33-23-21(26)15(24)11-16(25)22(23)27)31-12-18(29-30-31)17(28)10-14-7-5-4-6-8-14/h4-8,11-12,17,19H,2-3,9-10,13,28H2,1H3
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n/an/a 7.40E+4n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81401
PNG
(ML4053)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)(N)Cc1ccccc1
Show InChI InChI=1S/C24H26F4N4O2/c1-3-4-10-18(19(33)14-34-23-21(27)16(25)11-17(26)22(23)28)32-13-20(30-31-32)24(2,29)12-15-8-6-5-7-9-15/h5-9,11,13,18H,3-4,10,12,14,29H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81416
PNG
(ML4101)
Show SMILES CCCCC(C#N)n1cc(nn1)C1(N)CCCCC1
Show InChI InChI=1S/C14H23N5/c1-2-3-7-12(10-15)19-11-13(17-18-19)14(16)8-5-4-6-9-14/h11-12H,2-9,16H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Citation and Details
More data for this
Ligand-Target Pair