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Compile Data Set for Download or QSAR

Found 1273 hits Enz. Inhib. hit(s) with Target = 'Alkaline phosphatase placental-like'   
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
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396265
PNG
(US10314827, Compound 1 | US10314827, Compound 9)
Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1
Show InChI InChI=1S/C28H43NO2/c1-16-11-25-26(29-15-16)18(3)28(31-25)10-8-21-22-6-5-19-12-20(30)7-9-27(19,4)24(22)13-23(21)17(2)14-28/h16,18-19,21-22,24-26,29H,5-15H2,1-4H3/t16-,18+,19+,21-,22-,24-,25+,26-,27-,28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem
US Patent
n/an/an/an/a<20n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396285
PNG
(US10314827, Compound 55)
Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C1C)NS(C)(=O)=O
Show InChI InChI=1S/C28H46N2O3S/c1-16-12-25-26(29-15-16)18(3)28(33-25)11-9-21-22-7-6-19-13-20(30-34(5,31)32)8-10-27(19,4)24(22)14-23(21)17(28)2/h16,18-22,24-26,29-30H,6-15H2,1-5H3/t16-,18+,19+,20+,21-,22-,24-,25+,26-,27-,28-/m0/s1
PDB
MMDB

KEGG

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US Patent
n/an/an/an/a<20n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396271
PNG
(US10314827, Compound 20)
Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCN(C)C)O[C@]11CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1
Show InChI InChI=1S/C32H50N2O2/c1-20-15-29-30(34(19-20)14-13-33(5)6)22(3)32(36-29)12-10-25-26-8-7-23-16-24(35)9-11-31(23,4)28(26)17-27(25)21(2)18-32/h16,20,22,25-26,28-30H,7-15,17-19H2,1-6H3/t20-,22+,25-,26-,28-,29+,30-,31-,32-/m0/s1
PDB
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KEGG

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n/an/an/an/a<20n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396270
PNG
(US10314827, Compound 13)
Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCNCC(=O)c2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1
Show InChI InChI=1S/C38H54N2O3/c1-24-18-35-36(40(23-24)17-16-39-22-34(42)27-8-6-5-7-9-27)26(3)38(43-35)15-13-30-31-11-10-28-19-29(41)12-14-37(28,4)33(31)20-32(30)25(2)21-38/h5-9,24,26,28,30-31,33,35-36,39H,10-23H2,1-4H3/t24-,26+,28+,30-,31-,33-,35+,36-,37-,38-/m0/s1
PDB
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KEGG

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n/an/an/an/a<20n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50293788
PNG
(CHEMBL538867 | N-((2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S...)
Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)NS(C)(=O)=O
Show InChI InChI=1/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/s2
PDB
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KEGG

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PC sid
UniChem

Patents

US Patent
n/an/an/an/a<20n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396283
PNG
(US10314827, Compound 40)
Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)OC(=O)CN
Show InChI InChI=1S/C30H48N2O3/c1-17-11-26-28(32-16-17)19(3)30(35-26)10-8-22-23-6-5-20-12-21(34-27(33)15-31)7-9-29(20,4)25(23)13-24(22)18(2)14-30/h17,19-23,25-26,28,32H,5-16,31H2,1-4H3/t17-,19+,20+,21-,22-,23-,25-,26+,28-,29-,30-/m0/s1
PDB
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KEGG

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US Patent
n/an/an/an/a<20n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396281
PNG
(US10314827, Compound 37)
Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(CC[C@]4(C)[C@H]3CC2=C(C)C1)=NO
Show InChI InChI=1S/C36H50N2O4/c1-22-16-32-33(38(20-22)34(39)41-21-25-8-6-5-7-9-25)24(3)36(42-32)15-13-28-29-11-10-26-17-27(37-40)12-14-35(26,4)31(29)18-30(28)23(2)19-36/h5-9,22,24,26,28-29,31-33,40H,10-21H2,1-4H3/t22-,24+,26+,28-,29-,31-,32+,33-,35-,36-/m0/s1
PDB
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US Patent
n/an/an/an/a<20n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396280
PNG
(US10314827, Compound 35)
Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)OC(C)=O
Show InChI InChI=1S/C30H47NO3/c1-17-12-27-28(31-16-17)19(3)30(34-27)11-9-23-24-7-6-21-13-22(33-20(4)32)8-10-29(21,5)26(24)14-25(23)18(2)15-30/h17,19,21-24,26-28,31H,6-16H2,1-5H3/t17-,19+,21+,22-,23-,24-,26-,27+,28-,29-,30-/m0/s1
PDB
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KEGG

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n/an/an/an/a<20n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396273
PNG
(US10314827, Compound 22)
Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCN(C)C(C)=O)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1
Show InChI InChI=1S/C33H52N2O3/c1-20-15-30-31(35(19-20)14-13-34(6)23(4)36)22(3)33(38-30)12-10-26-27-8-7-24-16-25(37)9-11-32(24,5)29(27)17-28(26)21(2)18-33/h20,22,24,26-27,29-31H,7-19H2,1-6H3/t20-,22+,24+,26-,27-,29-,30+,31-,32-,33-/m0/s1
PDB
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KEGG

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US Patent
n/an/an/an/a<20n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396274
PNG
(US10314827, Compound 23)
Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCNC(=O)CCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1
Show InChI InChI=1S/C39H56N2O3/c1-25-20-35-37(41(24-25)19-18-40-36(43)13-10-28-8-6-5-7-9-28)27(3)39(44-35)17-15-31-32-12-11-29-21-30(42)14-16-38(29,4)34(32)22-33(31)26(2)23-39/h5-9,25,27,29,31-32,34-35,37H,10-24H2,1-4H3,(H,40,43)/t25-,27+,29+,31-,32-,34-,35+,37-,38-,39-/m0/s1
PDB
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n/an/an/an/a<20n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396275
PNG
(US10314827, Compound 24)
Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCN(C)C(=O)CCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1
Show InChI InChI=1S/C40H58N2O3/c1-26-21-36-38(42(25-26)20-19-41(5)37(44)14-11-29-9-7-6-8-10-29)28(3)40(45-36)18-16-32-33-13-12-30-22-31(43)15-17-39(30,4)35(33)23-34(32)27(2)24-40/h6-10,26,28,30,32-33,35-36,38H,11-25H2,1-5H3/t26-,28+,30+,32-,33-,35-,36+,38-,39-,40-/m0/s1
PDB
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n/an/an/an/a<20n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396276
PNG
(US10314827, Compound 27 | US10314827, Compound 33)
Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC2=C(C)C1
Show InChI InChI=1S/C36H51NO4/c1-22-16-32-33(37(20-22)34(39)40-21-25-8-6-5-7-9-25)24(3)36(41-32)15-13-28-29-11-10-26-17-27(38)12-14-35(26,4)31(29)18-30(28)23(2)19-36/h5-9,22,24,26-29,31-33,38H,10-21H2,1-4H3/t22-,24+,26+,27+,28-,29-,31-,32+,33-,35-,36-/m0/s1
PDB
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US Patent
n/an/an/an/a 60n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396282
PNG
(US10314827, Compound 39)
Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)OC(=O)CNCc1ccccc1
Show InChI InChI=1S/C45H60N2O5/c1-29-21-40-42(47(27-29)43(49)50-28-33-13-9-6-10-14-33)31(3)45(52-40)20-18-36-37-16-15-34-22-35(51-41(48)26-46-25-32-11-7-5-8-12-32)17-19-44(34,4)39(37)23-38(36)30(2)24-45/h5-14,29,31,34-37,39-40,42,46H,15-28H2,1-4H3/t29-,31+,34+,35+,36-,37-,39-,40+,42-,44-,45-/m0/s1
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n/an/an/an/a 60n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396278
PNG
(US10314827, Compound 31)
Show SMILES CO[C@@H]1CC[C@]2(C)[C@H]3CC4=C(C)C[C@]5(CC[C@H]4[C@@H]3CC[C@@H]2C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]5C
Show InChI InChI=1S/C29H47NO2/c1-17-12-26-27(30-16-17)19(3)29(32-26)11-9-22-23-7-6-20-13-21(31-5)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1
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n/an/an/an/a 60n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396277
PNG
(US10314827, Compound 29)
Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C(C)C1
Show InChI InChI=1S/C36H51NO4/c1-22-16-32-33(37(20-22)34(39)40-21-25-8-6-5-7-9-25)24(3)36(41-32)15-13-28-29-11-10-26-17-27(38)12-14-35(26,4)31(29)18-30(28)23(2)19-36/h5-9,22,24,26-29,31-33,38H,10-21H2,1-4H3/t22-,24+,26+,27-,28-,29-,31-,32+,33-,35-,36-/m0/s1
PDB
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n/an/an/an/a 60n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396272
PNG
(US10314827, Compound 21)
Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCNC(C)=O)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1
Show InChI InChI=1S/C32H50N2O3/c1-19-14-29-30(34(18-19)13-12-33-22(4)35)21(3)32(37-29)11-9-25-26-7-6-23-15-24(36)8-10-31(23,5)28(26)16-27(25)20(2)17-32/h19,21,23,25-26,28-30H,6-18H2,1-5H3,(H,33,35)/t19-,21+,23+,25-,26-,28-,29+,30-,31-,32-/m0/s1
PDB
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n/an/an/an/a 60n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396276
PNG
(US10314827, Compound 27 | US10314827, Compound 33)
Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC2=C(C)C1
Show InChI InChI=1S/C36H51NO4/c1-22-16-32-33(37(20-22)34(39)40-21-25-8-6-5-7-9-25)24(3)36(41-32)15-13-28-29-11-10-26-17-27(38)12-14-35(26,4)31(29)18-30(28)23(2)19-36/h5-9,22,24,26-29,31-33,38H,10-21H2,1-4H3/t22-,24+,26+,27+,28-,29-,31-,32+,33-,35-,36-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396269
PNG
(US10314827, Compound 10)
Show SMILES CC(C)N1C[C@@H](C)C[C@H]2O[C@]3(CC[C@H]4[C@@H]5CC[C@@H]6CC(=O)CC[C@]6(C)[C@H]5CC4=C(C)C3)[C@H](C)[C@H]12
Show InChI InChI=1S/C31H49NO2/c1-18(2)32-17-19(3)13-28-29(32)21(5)31(34-28)12-10-24-25-8-7-22-14-23(33)9-11-30(22,6)27(25)15-26(24)20(4)16-31/h18-19,21-22,24-25,27-29H,7-17H2,1-6H3/t19-,21+,22+,24-,25-,27-,28+,29-,30-,31-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396265
PNG
(US10314827, Compound 1 | US10314827, Compound 9)
Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1
Show InChI InChI=1S/C28H43NO2/c1-16-11-25-26(29-15-16)18(3)28(31-25)10-8-21-22-6-5-19-12-20(30)7-9-27(19,4)24(22)13-23(21)17(2)14-28/h16,18-19,21-22,24-26,29H,5-15H2,1-4H3/t16-,18+,19+,21-,22-,24-,25+,26-,27-,28-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396266
PNG
(US10314827, Compound 7 | US10314827, Compound 8)
Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)OCc1ccccc1
Show InChI InChI=1S/C43H55NO4/c1-28-21-39-40(44(25-28)41(45)47-27-32-13-9-6-10-14-32)30(3)43(48-39)20-18-35-36-16-15-33-22-34(46-26-31-11-7-5-8-12-31)17-19-42(33,4)38(36)23-37(35)29(2)24-43/h5-15,28,30,34-36,38-40H,16-27H2,1-4H3/t28-,30+,34-,35-,36-,38-,39+,40-,42-,43-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396266
PNG
(US10314827, Compound 7 | US10314827, Compound 8)
Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)OCc1ccccc1
Show InChI InChI=1S/C43H55NO4/c1-28-21-39-40(44(25-28)41(45)47-27-32-13-9-6-10-14-32)30(3)43(48-39)20-18-35-36-16-15-33-22-34(46-26-31-11-7-5-8-12-31)17-19-42(33,4)38(36)23-37(35)29(2)24-43/h5-15,28,30,34-36,38-40H,16-27H2,1-4H3/t28-,30+,34-,35-,36-,38-,39+,40-,42-,43-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Infinity Pharmaceuticals Inc

US Patent


Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


US Patent US10314827 (2019)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM39647
PNG
(3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-...)
Show SMILES Cc1ccc(cc1)C1CC(=NNC1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C17H15ClN2O/c1-11-2-4-12(5-3-11)15-10-16(19-20-17(15)21)13-6-8-14(18)9-7-13/h2-9,15H,10H2,1H3,(H,20,21)
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n/an/an/an/a 203n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM39657
PNG
(MLS000523074 | N-(4-fluorobenzyl)-2-(2-keto-6-pyrr...)
Show SMILES Fc1ccc(CNC(=O)Cn2c3ccc(cc3oc2=O)S(=O)(=O)N2CCCC2)cc1
Show InChI InChI=1S/C20H20FN3O5S/c21-15-5-3-14(4-6-15)12-22-19(25)13-24-17-8-7-16(11-18(17)29-20(24)26)30(27,28)23-9-1-2-10-23/h3-8,11H,1-2,9-10,12-13H2,(H,22,25)
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n/an/an/an/a 457n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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n/an/an/an/a 550n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM43817
PNG
((3Z)-1-allyl-3-[(2-hydroxyphenyl)hydrazono]oxindol...)
Show SMILES Oc1ccccc1NN=C1C(=O)N(CC=C)c2ccccc12
Show InChI InChI=1S/C17H15N3O2/c1-2-11-20-14-9-5-3-7-12(14)16(17(20)22)19-18-13-8-4-6-10-15(13)21/h2-10,18,21H,1,11H2/b19-16-
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n/an/an/an/a 663n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM39713
PNG
(1'-allylspiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3...)
Show SMILES C=CCN1C(=O)C2(NNc3ccccc3O2)c2ccccc12
Show InChI InChI=1S/C17H15N3O2/c1-2-11-20-14-9-5-3-7-12(14)17(16(20)21)19-18-13-8-4-6-10-15(13)22-17/h2-10,18-19H,1,11H2
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n/an/an/an/a 718n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM39784
PNG
((5E)-1-(3-methylphenyl)-5-[(1-phenyl-4-pyrazolyl)m...)
Show SMILES Cc1cccc(c1)N1C(=O)NC(=O)C(=Cc2cnn(c2)-c2ccccc2)C1=O
Show InChI InChI=1S/C21H16N4O3/c1-14-6-5-9-17(10-14)25-20(27)18(19(26)23-21(25)28)11-15-12-22-24(13-15)16-7-3-2-4-8-16/h2-13H,1H3,(H,23,26,28)/b18-11+
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n/an/an/an/a 1.09E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM75613
PNG
((2Z)-9-(3-chlorophenyl)-2-(5-ethoxy-6-keto-cyclohe...)
Show SMILES CCOc1cccc(c1O)-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(Cl)c3)c2n1
Show InChI InChI=1S/C20H16ClN5O4/c1-2-30-13-8-4-7-12(16(13)27)18-23-14(17(22)28)15-19(25-18)26(20(29)24-15)11-6-3-5-10(21)9-11/h3-9,27H,2H2,1H3,(H2,22,28)(H,24,29)
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n/an/an/an/a 1.91E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM39611
PNG
(1-(2-keto-2-pyrrolidino-ethyl)-3-phenyl-thieno[3,2...)
Show SMILES O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O)N1CCCC1
Show InChI InChI=1S/C18H17N3O3S/c22-15(19-9-4-5-10-19)12-20-14-8-11-25-16(14)17(23)21(18(20)24)13-6-2-1-3-7-13/h1-3,6-8,11H,4-5,9-10,12H2
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n/an/an/an/a 2.65E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM39778
PNG
(MLS000325589 | N-(4-methylphenyl)-3-[[3-(trifluoro...)
Show SMILES Cc1ccc(NC(=O)c2sccc2SCc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H16F3NOS2/c1-13-5-7-16(8-6-13)24-19(25)18-17(9-10-26-18)27-12-14-3-2-4-15(11-14)20(21,22)23/h2-11H,12H2,1H3,(H,24,25)
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n/an/an/an/a 3.31E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM61326
PNG
(1-N',2-N'-bis[(E)-(2-hydroxy-4-oxocyclohexa-2,5-di...)
Show SMILES Oc1ccc(C=NNC(=O)C(=O)NN=Cc2ccc(O)cc2O)c(O)c1
Show InChI InChI=1S/C16H14N4O6/c21-11-3-1-9(13(23)5-11)7-17-19-15(25)16(26)20-18-8-10-2-4-12(22)6-14(10)24/h1-8,21-24H,(H,19,25)(H,20,26)/b17-7+,18-8+
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n/an/an/an/a 5.73E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM45070
PNG
(4-Methyl-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxyli...)
Show SMILES COc1cccc(C=NNC(=O)c2[nH][nH]c(=O)c2C)c1O
Show InChI InChI=1S/C13H14N4O4/c1-7-10(15-17-12(7)19)13(20)16-14-6-8-4-3-5-9(21-2)11(8)18/h3-6,18H,1-2H3,(H,16,20)(H2,15,17,19)/b14-6+
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n/an/an/an/a 7.82E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM39646
PNG
(2-(4-benzoylphenyl)-2-(4-fluorophenyl)acetonitrile...)
Show SMILES Fc1ccc(cc1)C(C#N)c1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C21H14FNO/c22-19-12-10-16(11-13-19)20(14-23)15-6-8-18(9-7-15)21(24)17-4-2-1-3-5-17/h1-13,20H
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n/an/an/an/a 7.89E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/an/an/a 8.03E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2SJ1J25
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM75669
PNG
(5-(5-methyl-2-furanyl)-N'-[(E)-(6-oxo-1-cyclohexa-...)
Show SMILES Cc1ccc(o1)-c1cc([nH]n1)C(=O)NN=Cc1ccccc1O
Show InChI InChI=1S/C16H14N4O3/c1-10-6-7-15(23-10)12-8-13(19-18-12)16(22)20-17-9-11-4-2-3-5-14(11)21/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-9+
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n/an/an/an/a 8.04E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM39595
PNG
(MLS000082269 | N,N-dimethyl-4-(1-propan-2-yl-2-ben...)
Show SMILES CC(C)n1c(nc2ccccc12)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C18H21N3/c1-13(2)21-17-8-6-5-7-16(17)19-18(21)14-9-11-15(12-10-14)20(3)4/h5-13H,1-4H3
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n/an/an/an/a 8.52E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM39679
PNG
((Z)-[2-keto-3-(p-tolyl)-5-pyridin-1-ium-1-yl-3-imi...)
Show SMILES Cc1ccc(cc1)-n1c(C=O)c([n-]c1=O)-[n+]1ccccc1
Show InChI InChI=1S/C16H13N3O2/c1-12-5-7-13(8-6-12)19-14(11-20)15(17-16(19)21)18-9-3-2-4-10-18/h2-11H,1H3
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n/an/an/an/a 9.08E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM75692
PNG
(MLS001235951 | N'-[1-(3-methylphenyl)-4-pyrazolo[3...)
Show SMILES Cc1cccc(c1)-n1ncc2c(NNC(=O)c3ccco3)ncnc12
Show InChI InChI=1S/C17H14N6O2/c1-11-4-2-5-12(8-11)23-16-13(9-20-23)15(18-10-19-16)21-22-17(24)14-6-3-7-25-14/h2-10H,1H3,(H,22,24)(H,18,19,21)
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n/an/an/an/a 9.19E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM75656
PNG
((3Z)-5-(hydroxyamino)-6-nitroso-3-phenacylidene-1,...)
Show SMILES ONc1nc(CC(=O)c2ccccc2)c(=O)[nH]c1N=O
Show InChI InChI=1S/C12H10N4O4/c17-9(7-4-2-1-3-5-7)6-8-12(18)14-11(16-20)10(13-8)15-19/h1-5,19H,6H2,(H,13,15)(H,14,18)
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n/an/an/an/a 9.75E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM59281
PNG
(2-(2-methylpropanoylcarbamothioylamino)-N-phenyl-b...)
Show SMILES CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-12(2)16(22)21-18(24)20-15-11-7-6-10-14(15)17(23)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H,19,23)(H2,20,21,22,24)
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n/an/an/an/a 9.82E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM60945
PNG
(5-amino-6-[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-die...)
Show SMILES Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCC3)nn12
Show InChI InChI=1S/C18H17N5O4S/c19-16-11(7-10-3-4-12(24)13(25)8-10)17(27)20-18-23(16)21-14(28-18)9-15(26)22-5-1-2-6-22/h3-4,7-8,25H,1-2,5-6,9,19H2/b10-7-
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n/an/an/an/a 9.83E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2SJ1J25
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM75658
PNG
(1,2-bis(6-fluoranyl-1H-benzimidazol-2-yl)ethane-1,...)
Show SMILES OC(C(O)c1nc2ccc(F)cc2[nH]1)c1nc2ccc(F)cc2[nH]1
Show InChI InChI=1/C16H12F2N4O2/c17-7-1-3-9-11(5-7)21-15(19-9)13(23)14(24)16-20-10-4-2-8(18)6-12(10)22-16/h1-6,13-14,23-24H,(H,19,21)(H,20,22)
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n/an/an/an/a 1.05E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM52555
PNG
(2-nitro-N-[(salicyloylamino)thiocarbamoyl]benzamid...)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C15H12N4O5S/c20-12-8-4-2-6-10(12)14(22)17-18-15(25)16-13(21)9-5-1-3-7-11(9)19(23)24/h1-8,20H,(H,17,22)(H2,16,18,21,25)
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n/an/an/an/a 1.05E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM34868
PNG
(1-ethyl-2-methyl-N'-[(E)-(5-oxidanyl-6-oxidanylide...)
Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)NN=Cc1cccc(O)c1O
Show InChI InChI=1S/C18H18N4O3/c1-3-22-11(2)20-14-9-12(7-8-15(14)22)18(25)21-19-10-13-5-4-6-16(23)17(13)24/h4-10,23-24H,3H2,1-2H3,(H,21,25)/b19-10+
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n/an/an/an/a 1.09E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM39762
PNG
(1-(4-ethoxybenzyl)-3-[(4-nitrobenzylidene)amino]th...)
Show SMILES CCOc1ccc(CNC(=S)NN=Cc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H18N4O3S/c1-2-24-16-9-5-13(6-10-16)11-18-17(25)20-19-12-14-3-7-15(8-4-14)21(22)23/h3-10,12H,2,11H2,1H3,(H2,18,20,25)/b19-12+
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n/an/an/an/a 1.09E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM75627
PNG
(4-Bromo-2H-pyrazole-3-carboxylic acid [1-(2-hydrox...)
Show SMILES Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br
Show InChI InChI=1S/C15H11BrN4O2/c16-12-8-18-19-14(12)15(22)20-17-7-11-10-4-2-1-3-9(10)5-6-13(11)21/h1-8,21H,(H,18,19)(H,20,22)/b17-7+
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n/an/an/an/a 1.10E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM65353
PNG
(4-bromanyl-N'-[(E)-(4-ethoxy-6-oxidanylidene-cyclo...)
Show SMILES CCOc1ccc(C=NNC(=O)c2[nH]ncc2Br)c(O)c1
Show InChI InChI=1S/C13H13BrN4O3/c1-2-21-9-4-3-8(11(19)5-9)6-15-18-13(20)12-10(14)7-16-17-12/h3-7,19H,2H2,1H3,(H,16,17)(H,18,20)/b15-6+
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n/an/an/an/a 1.12E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM49122
PNG
(2-amino-3-hydroxy-N'-(2,3,4-trihydroxybenzyl)propi...)
Show SMILES NC(CO)C(=O)NNCc1ccc(O)c(O)c1O
Show InChI InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)
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n/an/an/an/a 1.15E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50252093
PNG
(6-hydroxybenzo[d][1,3]oxathiol-2-one | CHEMBL44268...)
Show SMILES Oc1ccc2sc(=O)oc2c1
Show InChI InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H
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n/an/an/an/a 1.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2SJ1J25
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM75668
PNG
(1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide | ...)
Show SMILES O=C(CCCCC(=O)NNC(=O)COc1ccccc1)NNC(=O)COc1ccccc1
Show InChI InChI=1S/C22H26N4O6/c27-19(23-25-21(29)15-31-17-9-3-1-4-10-17)13-7-8-14-20(28)24-26-22(30)16-32-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
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n/an/an/an/a 1.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20Z71R6
More data for this
Ligand-Target Pair
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