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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'iaroshenko' and Initial = 'vo'   
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
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234715
PNG
(CHEMBL4069497)
Show SMILES COc1ccc(cc1)-c1c([nH]c2ccc(N)cc2c1=O)-c1ccc(C)cc1
Show InChI InChI=1S/C23H20N2O2/c1-14-3-5-16(6-4-14)22-21(15-7-10-18(27-2)11-8-15)23(26)19-13-17(24)9-12-20(19)25-22/h3-13H,24H2,1-2H3,(H,25,26)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234702
PNG
(CHEMBL4066927)
Show SMILES CC(c1ccccc1)n1c(-c2ccc(C)cc2)c(Br)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C24H19BrN2O3/c1-15-8-10-18(11-9-15)23-22(25)24(28)20-14-19(27(29)30)12-13-21(20)26(23)16(2)17-6-4-3-5-7-17/h3-14,16H,1-2H3
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n/an/a 1.34E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234719
PNG
(CHEMBL4062180)
Show SMILES CCCCCc1cc(=O)c2cc(ccc2n1Cc1ccc(OC)cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H24N2O4/c1-3-4-5-6-17-14-22(25)20-13-18(24(26)27)9-12-21(20)23(17)15-16-7-10-19(28-2)11-8-16/h7-14H,3-6,15H2,1-2H3
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n/an/a 1.38E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234719
PNG
(CHEMBL4062180)
Show SMILES CCCCCc1cc(=O)c2cc(ccc2n1Cc1ccc(OC)cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H24N2O4/c1-3-4-5-6-17-14-22(25)20-13-18(24(26)27)9-12-21(20)23(17)15-16-7-10-19(28-2)11-8-16/h7-14H,3-6,15H2,1-2H3
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n/an/a 1.51E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234703
PNG
(CHEMBL4104578)
Show SMILES CCc1ccc(cc1)-c1c(-c2ccc(C)cc2)n(Cc2ccc(OC)cc2)c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C32H28N2O4/c1-4-22-7-13-24(14-8-22)30-31(25-11-5-21(2)6-12-25)33(20-23-9-16-27(38-3)17-10-23)29-18-15-26(34(36)37)19-28(29)32(30)35/h5-19H,4,20H2,1-3H3
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n/an/a 1.66E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234716
PNG
(CHEMBL4104441)
Show SMILES Cc1ccc(cc1)-c1[nH]c2ccc(NC(=O)C(F)(F)F)cc2c(=O)c1-c1ccc(C)cc1
Show InChI InChI=1S/C25H19F3N2O2/c1-14-3-7-16(8-4-14)21-22(17-9-5-15(2)6-10-17)30-20-12-11-18(13-19(20)23(21)31)29-24(32)25(26,27)28/h3-13H,1-2H3,(H,29,32)(H,30,31)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234717
PNG
(CHEMBL4076852)
Show SMILES COc1ccc(Cn2c(-c3ccc(C)cc3)c(-c3ccc(OC)cc3)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C31H26N2O5/c1-20-4-8-23(9-5-20)30-29(22-10-15-26(38-3)16-11-22)31(34)27-18-24(33(35)36)12-17-28(27)32(30)19-21-6-13-25(37-2)14-7-21/h4-18H,19H2,1-3H3
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n/an/a 2.04E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234721
PNG
(CHEMBL4081390)
Show SMILES COc1ccc(Cn2c(-c3ccc(C)cc3)c(-c3ccccc3C=O)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1 |(41.76,-40.13,;43.1,-40.89,;44.43,-40.12,;44.42,-38.57,;45.75,-37.8,;47.09,-38.57,;48.42,-37.8,;48.41,-36.26,;49.76,-35.48,;51.09,-36.25,;51.09,-37.79,;52.42,-38.55,;53.76,-37.78,;55.09,-38.54,;53.75,-36.23,;52.41,-35.47,;49.75,-33.93,;51.09,-33.16,;52.42,-33.93,;53.75,-33.15,;53.75,-31.61,;52.4,-30.85,;51.08,-31.62,;49.74,-30.86,;49.73,-29.32,;48.4,-33.15,;48.39,-31.61,;47.06,-33.94,;45.73,-33.17,;44.4,-33.94,;44.4,-35.49,;45.73,-36.26,;47.07,-35.49,;43.07,-33.17,;43.07,-31.64,;41.73,-33.95,;47.1,-40.11,;45.77,-40.88,)|
Show InChI InChI=1S/C31H24N2O5/c1-20-7-11-22(12-8-20)30-29(26-6-4-3-5-23(26)19-34)31(35)27-17-24(33(36)37)13-16-28(27)32(30)18-21-9-14-25(38-2)15-10-21/h3-17,19H,18H2,1-2H3
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n/an/a 2.35E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234701
PNG
(CHEMBL4094414)
Show SMILES COc1ccc(Cn2c(-c3ccc(C)cc3)c(Br)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C24H19BrN2O4/c1-15-3-7-17(8-4-15)23-22(25)24(28)20-13-18(27(29)30)9-12-21(20)26(23)14-16-5-10-19(31-2)11-6-16/h3-13H,14H2,1-2H3
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n/an/a 2.43E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234702
PNG
(CHEMBL4066927)
Show SMILES CC(c1ccccc1)n1c(-c2ccc(C)cc2)c(Br)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C24H19BrN2O3/c1-15-8-10-18(11-9-15)23-22(25)24(28)20-14-19(27(29)30)12-13-21(20)26(23)16(2)17-6-4-3-5-7-17/h3-14,16H,1-2H3
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n/an/a 2.47E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234710
PNG
(CHEMBL4084870)
Show SMILES Cc1ccc(cc1)-c1cc(=O)c2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C16H12N2O3/c1-10-2-4-11(5-3-10)15-9-16(19)13-8-12(18(20)21)6-7-14(13)17-15/h2-9H,1H3,(H,17,19)
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n/an/a 2.56E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234713
PNG
(CHEMBL4077772)
Show SMILES Cc1ccc(cc1)-c1[nH]c2ccc(cc2c(=O)c1-c1ccc(cc1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C23H15F3N2O3/c1-13-2-4-15(5-3-13)21-20(14-6-8-16(9-7-14)23(24,25)26)22(29)18-12-17(28(30)31)10-11-19(18)27-21/h2-12H,1H3,(H,27,29)
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n/an/a 2.69E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234718
PNG
(CHEMBL4097906)
Show SMILES COc1ccc(Cn2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C31H26N2O4/c1-20-4-10-23(11-5-20)29-30(24-12-6-21(2)7-13-24)32(19-22-8-15-26(37-3)16-9-22)28-17-14-25(33(35)36)18-27(28)31(29)34/h4-18H,19H2,1-3H3
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n/an/a 2.92E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234712
PNG
(CHEMBL4088077)
Show SMILES CCCCCc1[nH]c2ccc(cc2c(=O)c1Br)[N+]([O-])=O
Show InChI InChI=1S/C14H15BrN2O3/c1-2-3-4-5-12-13(15)14(18)10-8-9(17(19)20)6-7-11(10)16-12/h6-8H,2-5H2,1H3,(H,16,18)
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n/an/a 3.06E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234701
PNG
(CHEMBL4094414)
Show SMILES COc1ccc(Cn2c(-c3ccc(C)cc3)c(Br)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C24H19BrN2O4/c1-15-3-7-17(8-4-15)23-22(25)24(28)20-13-18(27(29)30)9-12-21(20)26(23)14-16-5-10-19(31-2)11-6-16/h3-13H,14H2,1-2H3
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n/an/a 4.22E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234713
PNG
(CHEMBL4077772)
Show SMILES Cc1ccc(cc1)-c1[nH]c2ccc(cc2c(=O)c1-c1ccc(cc1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C23H15F3N2O3/c1-13-2-4-15(5-3-13)21-20(14-6-8-16(9-7-14)23(24,25)26)22(29)18-12-17(28(30)31)10-11-19(18)27-21/h2-12H,1H3,(H,27,29)
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n/an/a 4.38E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234709
PNG
(CHEMBL4090195)
Show SMILES COc1ccc(Cn2c(-c3ccc(C)cc3)c(c(=O)c3cc(ccc23)[N+]([O-])=O)C(F)(F)F)cc1
Show InChI InChI=1S/C25H19F3N2O4/c1-15-3-7-17(8-4-15)23-22(25(26,27)28)24(31)20-13-18(30(32)33)9-12-21(20)29(23)14-16-5-10-19(34-2)11-6-16/h3-13H,14H2,1-2H3
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n/an/a 4.53E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234709
PNG
(CHEMBL4090195)
Show SMILES COc1ccc(Cn2c(-c3ccc(C)cc3)c(c(=O)c3cc(ccc23)[N+]([O-])=O)C(F)(F)F)cc1
Show InChI InChI=1S/C25H19F3N2O4/c1-15-3-7-17(8-4-15)23-22(25(26,27)28)24(31)20-13-18(30(32)33)9-12-21(20)29(23)14-16-5-10-19(34-2)11-6-16/h3-13H,14H2,1-2H3
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n/an/a 4.58E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234704
PNG
(CHEMBL4096018)
Show SMILES COc1ccc(Cn2c(-c3ccc(C)cc3)c(-c3cc(C)cc(C)c3)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C32H28N2O4/c1-20-5-9-24(10-6-20)31-30(25-16-21(2)15-22(3)17-25)32(35)28-18-26(34(36)37)11-14-29(28)33(31)19-23-7-12-27(38-4)13-8-23/h5-18H,19H2,1-4H3
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n/an/a 4.74E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234708
PNG
(CHEMBL4082351)
Show SMILES COc1ccc(cc1)C(C)n1c(cc(=O)c2cc(ccc12)[N+]([O-])=O)-c1ccc(C)cc1
Show InChI InChI=1S/C25H22N2O4/c1-16-4-6-19(7-5-16)24-15-25(28)22-14-20(27(29)30)10-13-23(22)26(24)17(2)18-8-11-21(31-3)12-9-18/h4-15,17H,1-3H3
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n/an/a 4.75E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234703
PNG
(CHEMBL4104578)
Show SMILES CCc1ccc(cc1)-c1c(-c2ccc(C)cc2)n(Cc2ccc(OC)cc2)c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C32H28N2O4/c1-4-22-7-13-24(14-8-22)30-31(25-11-5-21(2)6-12-25)33(20-23-9-16-27(38-3)17-10-23)29-18-15-26(34(36)37)19-28(29)32(30)35/h5-19H,4,20H2,1-3H3
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n/an/a 5.75E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234716
PNG
(CHEMBL4104441)
Show SMILES Cc1ccc(cc1)-c1[nH]c2ccc(NC(=O)C(F)(F)F)cc2c(=O)c1-c1ccc(C)cc1
Show InChI InChI=1S/C25H19F3N2O2/c1-14-3-7-16(8-4-14)21-22(17-9-5-15(2)6-10-17)30-20-12-11-18(13-19(20)23(21)31)29-24(32)25(26,27)28/h3-13H,1-2H3,(H,29,32)(H,30,31)
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n/an/a 6.02E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234705
PNG
(CHEMBL4062042)
Show SMILES COc1ccc(Cn2c(-c3ccc(C)cc3)c(-c3ccc(cc3)C(F)(F)F)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C31H23F3N2O4/c1-19-3-7-22(8-4-19)29-28(21-9-11-23(12-10-21)31(32,33)34)30(37)26-17-24(36(38)39)13-16-27(26)35(29)18-20-5-14-25(40-2)15-6-20/h3-17H,18H2,1-2H3
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n/an/a 6.19E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234710
PNG
(CHEMBL4084870)
Show SMILES Cc1ccc(cc1)-c1cc(=O)c2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C16H12N2O3/c1-10-2-4-11(5-3-10)15-9-16(19)13-8-12(18(20)21)6-7-14(13)17-15/h2-9H,1H3,(H,17,19)
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n/an/a 6.25E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234711
PNG
(CHEMBL4066789)
Show SMILES Cc1ccc(cc1)-c1[nH]c2ccc(cc2c(=O)c1Br)[N+]([O-])=O
Show InChI InChI=1S/C16H11BrN2O3/c1-9-2-4-10(5-3-9)15-14(17)16(20)12-8-11(19(21)22)6-7-13(12)18-15/h2-8H,1H3,(H,18,20)
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n/an/a 6.47E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234705
PNG
(CHEMBL4062042)
Show SMILES COc1ccc(Cn2c(-c3ccc(C)cc3)c(-c3ccc(cc3)C(F)(F)F)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C31H23F3N2O4/c1-19-3-7-22(8-4-19)29-28(21-9-11-23(12-10-21)31(32,33)34)30(37)26-17-24(36(38)39)13-16-27(26)35(29)18-20-5-14-25(40-2)15-6-20/h3-17H,18H2,1-2H3
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n/an/a 8.34E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234720
PNG
(CHEMBL4086677)
Show SMILES CCCCCc1c(Br)c(=O)c2cc(ccc2n1Cc1ccc(OC)cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H23BrN2O4/c1-3-4-5-6-20-21(23)22(26)18-13-16(25(27)28)9-12-19(18)24(20)14-15-7-10-17(29-2)11-8-15/h7-13H,3-6,14H2,1-2H3
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n/an/a 9.51E+3n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234711
PNG
(CHEMBL4066789)
Show SMILES Cc1ccc(cc1)-c1[nH]c2ccc(cc2c(=O)c1Br)[N+]([O-])=O
Show InChI InChI=1S/C16H11BrN2O3/c1-9-2-4-10(5-3-9)15-14(17)16(20)12-8-11(19(21)22)6-7-13(12)18-15/h2-8H,1H3,(H,18,20)
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n/an/a 1.21E+4n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234715
PNG
(CHEMBL4069497)
Show SMILES COc1ccc(cc1)-c1c([nH]c2ccc(N)cc2c1=O)-c1ccc(C)cc1
Show InChI InChI=1S/C23H20N2O2/c1-14-3-5-16(6-4-14)22-21(15-7-10-18(27-2)11-8-15)23(26)19-13-17(24)9-12-20(19)25-22/h3-13H,24H2,1-2H3,(H,25,26)
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n/an/a 1.48E+4n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234733
PNG
(CHEMBL4095804)
Show SMILES COc1ccc(Cn2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c(=O)c3cc(N)ccc23)cc1
Show InChI InChI=1S/C31H28N2O2/c1-20-4-10-23(11-5-20)29-30(24-12-6-21(2)7-13-24)33(19-22-8-15-26(35-3)16-9-22)28-17-14-25(32)18-27(28)31(29)34/h4-18H,19,32H2,1-3H3
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n/an/a 1.51E+4n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234714
PNG
(CHEMBL4096723)
Show SMILES Cc1ccc(cc1)-c1cc(=O)c2cc(N)ccc2[nH]1
Show InChI InChI=1S/C16H14N2O/c1-10-2-4-11(5-3-10)15-9-16(19)13-8-12(17)6-7-14(13)18-15/h2-9H,17H2,1H3,(H,18,19)
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n/an/a 1.62E+4n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234722
PNG
(CHEMBL4063224)
Show SMILES CCCCCc1cc(=O)c2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C14H16N2O3/c1-2-3-4-5-10-8-14(17)12-9-11(16(18)19)6-7-13(12)15-10/h6-9H,2-5H2,1H3,(H,15,17)
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n/an/a 1.67E+4n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234712
PNG
(CHEMBL4088077)
Show SMILES CCCCCc1[nH]c2ccc(cc2c(=O)c1Br)[N+]([O-])=O
Show InChI InChI=1S/C14H15BrN2O3/c1-2-3-4-5-12-13(15)14(18)10-8-9(17(19)20)6-7-11(10)16-12/h6-8H,2-5H2,1H3,(H,16,18)
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n/an/a 1.72E+4n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234708
PNG
(CHEMBL4082351)
Show SMILES COc1ccc(cc1)C(C)n1c(cc(=O)c2cc(ccc12)[N+]([O-])=O)-c1ccc(C)cc1
Show InChI InChI=1S/C25H22N2O4/c1-16-4-6-19(7-5-16)24-15-25(28)22-14-20(27(29)30)10-13-23(22)26(24)17(2)18-8-11-21(31-3)12-9-18/h4-15,17H,1-3H3
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n/an/a 1.79E+4n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1 |r,c:5|
Show InChI InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1
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n/an/a 1.92E+4n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234714
PNG
(CHEMBL4096723)
Show SMILES Cc1ccc(cc1)-c1cc(=O)c2cc(N)ccc2[nH]1
Show InChI InChI=1S/C16H14N2O/c1-10-2-4-11(5-3-10)15-9-16(19)13-8-12(17)6-7-14(13)18-15/h2-9H,17H2,1H3,(H,18,19)
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n/an/a 1.94E+4n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234704
PNG
(CHEMBL4096018)
Show SMILES COc1ccc(Cn2c(-c3ccc(C)cc3)c(-c3cc(C)cc(C)c3)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C32H28N2O4/c1-20-5-9-24(10-6-20)31-30(25-16-21(2)15-22(3)17-25)32(35)28-18-26(34(36)37)11-14-29(28)33(31)19-23-7-12-27(38-4)13-8-23/h5-18H,19H2,1-4H3
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n/an/a 2.87E+4n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234706
PNG
(CHEMBL4105651)
Show SMILES CCCCCc1c(-c2ccc(cc2)C(F)(F)F)c(=O)c2cc(ccc2n1Cc1ccc(OC)cc1)[N+]([O-])=O
Show InChI InChI=1S/C29H27F3N2O4/c1-3-4-5-6-26-27(20-9-11-21(12-10-20)29(30,31)32)28(35)24-17-22(34(36)37)13-16-25(24)33(26)18-19-7-14-23(38-2)15-8-19/h7-17H,3-6,18H2,1-2H3
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n/an/a 3.85E+4n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234722
PNG
(CHEMBL4063224)
Show SMILES CCCCCc1cc(=O)c2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C14H16N2O3/c1-2-3-4-5-10-8-14(17)12-9-11(16(18)19)6-7-13(12)15-10/h6-9H,2-5H2,1H3,(H,15,17)
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n/an/a 4.48E+4n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM18073
PNG
((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
Show SMILES N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
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n/an/a 8.02E+4n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234720
PNG
(CHEMBL4086677)
Show SMILES CCCCCc1c(Br)c(=O)c2cc(ccc2n1Cc1ccc(OC)cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H23BrN2O4/c1-3-4-5-6-20-21(23)22(26)18-13-16(25(27)28)9-12-19(18)24(20)14-15-7-10-17(29-2)11-8-15/h7-13H,3-6,14H2,1-2H3
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n/an/a 1.22E+5n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50234707
PNG
(CHEMBL4100368)
Show SMILES COc1ccc(Cn2c(cc(=O)c3cc(ccc23)[N+]([O-])=O)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H20N2O4/c1-16-3-7-18(8-4-16)23-14-24(27)21-13-19(26(28)29)9-12-22(21)25(23)15-17-5-10-20(30-2)11-6-17/h3-14H,15H2,1-2H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectroph...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50234721
PNG
(CHEMBL4081390)
Show SMILES COc1ccc(Cn2c(-c3ccc(C)cc3)c(-c3ccccc3C=O)c(=O)c3cc(ccc23)[N+]([O-])=O)cc1 |(41.76,-40.13,;43.1,-40.89,;44.43,-40.12,;44.42,-38.57,;45.75,-37.8,;47.09,-38.57,;48.42,-37.8,;48.41,-36.26,;49.76,-35.48,;51.09,-36.25,;51.09,-37.79,;52.42,-38.55,;53.76,-37.78,;55.09,-38.54,;53.75,-36.23,;52.41,-35.47,;49.75,-33.93,;51.09,-33.16,;52.42,-33.93,;53.75,-33.15,;53.75,-31.61,;52.4,-30.85,;51.08,-31.62,;49.74,-30.86,;49.73,-29.32,;48.4,-33.15,;48.39,-31.61,;47.06,-33.94,;45.73,-33.17,;44.4,-33.94,;44.4,-35.49,;45.73,-36.26,;47.07,-35.49,;43.07,-33.17,;43.07,-31.64,;41.73,-33.95,;47.1,-40.11,;45.77,-40.88,)|
Show InChI InChI=1S/C31H24N2O5/c1-20-7-11-22(12-8-20)30-29(26-6-4-3-5-23(26)19-34)31(35)27-17-24(33(36)37)13-16-28(27)32(30)18-21-9-14-25(38-2)15-10-21/h3-17,19H,18H2,1-2H3
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n/an/a 1.92E+5n/an/an/an/an/an/a



Universit£t Rostock

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured a...


Eur J Med Chem 126: 408-420 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.036
BindingDB Entry DOI: 10.7270/Q2DZ0BKR
More data for this
Ligand-Target Pair