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Patent code US10308615

Compile Data Set for Download or QSAR

Found 344 hits of Enzyme Inhibition Constant Data   
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
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM394655
PNG
(US10308615, Example 12 | preparation of {2-[(pyrid...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1
Show InChI InChI=1S/C18H13F3N4O/c19-18(20,21)15-5-1-4-13(7-15)16(26)14-10-24-17(25-11-14)23-9-12-3-2-6-22-8-12/h1-8,10-11H,9H2,(H,23,24,25)
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM394660
PNG
(US10308615, Example 17 | preparation of [3-(methyl...)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C19H17N5O3S/c1-28(26,27)16-4-2-3-13(7-16)17(25)14-8-22-18(23-9-14)24-19(5-6-19)15-10-20-12-21-11-15/h2-4,7-12H,5-6H2,1H3,(H,22,23,24)
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM395062
PNG
((2-{[(6- methylpyridin-3- yl)methyl]amino} pyrimid...)
Show SMILES Cc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cn1
Show InChI InChI=1S/C19H15F3N4O/c1-12-5-6-13(8-23-12)9-24-18-25-10-15(11-26-18)17(27)14-3-2-4-16(7-14)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,24,25,26)
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM394659
PNG
(US10308615, Example 16 | preparation of (2-{[1-(py...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)14-3-1-2-12(6-14)16(28)13-7-25-17(26-8-13)27-18(4-5-18)15-9-23-11-24-10-15/h1-3,6-11H,4-5H2,(H,25,26,27)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM395062
PNG
((2-{[(6- methylpyridin-3- yl)methyl]amino} pyrimid...)
Show SMILES Cc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cn1
Show InChI InChI=1S/C19H15F3N4O/c1-12-5-6-13(8-23-12)9-24-18-25-10-15(11-26-18)17(27)14-3-2-4-16(7-14)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,24,25,26)
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 2


(Homo sapiens (Human))
BDBM394660
PNG
(US10308615, Example 17 | preparation of [3-(methyl...)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C19H17N5O3S/c1-28(26,27)16-4-2-3-13(7-16)17(25)14-8-22-18(23-9-14)24-19(5-6-19)15-10-20-12-21-11-15/h2-4,7-12H,5-6H2,1H3,(H,22,23,24)
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PC sid
UniChem
US Patent
n/an/a 1.80n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM394655
PNG
(US10308615, Example 12 | preparation of {2-[(pyrid...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1
Show InChI InChI=1S/C18H13F3N4O/c19-18(20,21)15-5-1-4-13(7-15)16(26)14-10-24-17(25-11-14)23-9-12-3-2-6-22-8-12/h1-8,10-11H,9H2,(H,23,24,25)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 2


(Homo sapiens (Human))
BDBM394656
PNG
(US10308615, Example 13 | [3-(methylsulfonyl)phenyl...)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1
Show InChI InChI=1S/C18H16N4O3S/c1-26(24,25)16-6-2-5-14(8-16)17(23)15-11-21-18(22-12-15)20-10-13-4-3-7-19-9-13/h2-9,11-12H,10H2,1H3,(H,20,21,22)
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PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM394645
PNG
(3-[(2-{[1-(pyridin-3-yl)cyclopropyl]amino}pyrimidi...)
Show SMILES O=C(c1cnc(NC2(CC2)c2cccnc2)nc1)c1cccc(c1)C#N
Show InChI InChI=1S/C20H15N5O/c21-10-14-3-1-4-15(9-14)18(26)16-11-23-19(24-12-16)25-20(6-7-20)17-5-2-8-22-13-17/h1-5,8-9,11-13H,6-7H2,(H,23,24,25)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 2


(Homo sapiens (Human))
BDBM394659
PNG
(US10308615, Example 16 | preparation of (2-{[1-(py...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)14-3-1-2-12(6-14)16(28)13-7-25-17(26-8-13)27-18(4-5-18)15-9-23-11-24-10-15/h1-3,6-11H,4-5H2,(H,25,26,27)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 2


(Homo sapiens (Human))
BDBM394655
PNG
(US10308615, Example 12 | preparation of {2-[(pyrid...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1
Show InChI InChI=1S/C18H13F3N4O/c19-18(20,21)15-5-1-4-13(7-15)16(26)14-10-24-17(25-11-14)23-9-12-3-2-6-22-8-12/h1-8,10-11H,9H2,(H,23,24,25)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM394648
PNG
(3-[(2-{[1-(pyrazin-2-yl)cyclopropyl]amino}pyrimidi...)
Show SMILES O=C(c1cnc(NC2(CC2)c2cnccn2)nc1)c1cccc(c1)C#N
Show InChI InChI=1S/C19H14N6O/c20-9-13-2-1-3-14(8-13)17(26)15-10-23-18(24-11-15)25-19(4-5-19)16-12-21-6-7-22-16/h1-3,6-8,10-12H,4-5H2,(H,23,24,25)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.40n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM395070
PNG
(US10308615, Example 81 | [4-fluoro-3- (trifluorome...)
Show SMILES Fc1ccc(cc1C(F)(F)F)C(=O)c1cnc(NCc2cccnc2)nc1
Show InChI InChI=1S/C18H12F4N4O/c19-15-4-3-12(6-14(15)18(20,21)22)16(27)13-9-25-17(26-10-13)24-8-11-2-1-5-23-7-11/h1-7,9-10H,8H2,(H,24,25,26)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.40n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 2


(Homo sapiens (Human))
BDBM394650
PNG
(3-[(2-{[1-(pyridin-3-yl)ethyl]amino}pyrimidin-5-yl...)
Show SMILES CC(Nc1ncc(cn1)C(=O)c1cccc(c1)C#N)c1cccnc1
Show InChI InChI=1S/C19H15N5O/c1-13(16-6-3-7-21-10-16)24-19-22-11-17(12-23-19)18(25)15-5-2-4-14(8-15)9-20/h2-8,10-13H,1H3,(H,22,23,24)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM395107
PNG
(3-({2-[(pyridin-3- ylmethyl)amino] pyrimidin-5- yl...)
Show SMILES O=C(c1cnc(NCc2cccnc2)nc1)c1cccc(c1)C#N
Show InChI InChI=1S/C18H13N5O/c19-8-13-3-1-5-15(7-13)17(24)16-11-22-18(23-12-16)21-10-14-4-2-6-20-9-14/h1-7,9,11-12H,10H2,(H,21,22,23)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM394644
PNG
(3-[(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimi...)
Show SMILES O=C(c1cnc(NC2(CC2)c2cncnc2)nc1)c1cccc(c1)C#N
Show InChI InChI=1S/C19H14N6O/c20-7-13-2-1-3-14(6-13)17(26)15-8-23-18(24-9-15)25-19(4-5-19)16-10-21-12-22-11-16/h1-3,6,8-12H,4-5H2,(H,23,24,25)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM395107
PNG
(3-({2-[(pyridin-3- ylmethyl)amino] pyrimidin-5- yl...)
Show SMILES O=C(c1cnc(NCc2cccnc2)nc1)c1cccc(c1)C#N
Show InChI InChI=1S/C18H13N5O/c19-8-13-3-1-5-15(7-13)17(24)16-11-22-18(23-12-16)21-10-14-4-2-6-20-9-14/h1-7,9,11-12H,10H2,(H,21,22,23)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM395108
PNG
(US10308615, Example 119 | {2-[(pyrimidin-5- ylmeth...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cncnc2)nc1
Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)14-3-1-2-12(4-14)15(26)13-8-24-16(25-9-13)23-7-11-5-21-10-22-6-11/h1-6,8-10H,7H2,(H,23,24,25)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM394654
PNG
(US10308615, Example 11 | {2-[(pyrazin-2-ylmethyl)a...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cnccn2)nc1
Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)13-3-1-2-11(6-13)15(26)12-7-23-16(24-8-12)25-10-14-9-21-4-5-22-14/h1-9H,10H2,(H,23,24,25)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<6.20n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM394654
PNG
(US10308615, Example 11 | {2-[(pyrazin-2-ylmethyl)a...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cnccn2)nc1
Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)13-3-1-2-11(6-13)15(26)12-7-23-16(24-8-12)25-10-14-9-21-4-5-22-14/h1-9H,10H2,(H,23,24,25)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.40n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 2


(Homo sapiens (Human))
BDBM394644
PNG
(3-[(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimi...)
Show SMILES O=C(c1cnc(NC2(CC2)c2cncnc2)nc1)c1cccc(c1)C#N
Show InChI InChI=1S/C19H14N6O/c20-7-13-2-1-3-14(6-13)17(26)15-8-23-18(24-9-15)25-19(4-5-19)16-10-21-12-22-11-16/h1-3,6,8-12H,4-5H2,(H,23,24,25)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM394678
PNG
(4-[({5-[3- (trifluoromethyl) benzoyl]pyrimidin- 2-...)
Show SMILES NC(=O)c1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H15F3N4O2/c21-20(22,23)16-3-1-2-14(8-16)17(28)15-10-26-19(27-11-15)25-9-12-4-6-13(7-5-12)18(24)29/h1-8,10-11H,9H2,(H2,24,29)(H,25,26,27)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM394673
PNG
(3-({2-[(4- chlorobenzyl)amino] pyrimidin-5- yl}car...)
Show SMILES Clc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C19H13ClN4O/c20-17-6-4-13(5-7-17)10-22-19-23-11-16(12-24-19)18(25)15-3-1-2-14(8-15)9-21/h1-8,11-12H,10H2,(H,22,23,24)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.40n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 2


(Homo sapiens (Human))
BDBM394654
PNG
(US10308615, Example 11 | {2-[(pyrazin-2-ylmethyl)a...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cnccn2)nc1
Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)13-3-1-2-11(6-13)15(26)12-7-23-16(24-8-12)25-10-14-9-21-4-5-22-14/h1-9H,10H2,(H,23,24,25)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM395110
PNG
(US10308615, Example 121 | {2-[(2- phenylpropan-2- ...)
Show SMILES CC(C)(Nc1ncc(cn1)C(=O)c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C21H18F3N3O/c1-20(2,16-8-4-3-5-9-16)27-19-25-12-15(13-26-19)18(28)14-7-6-10-17(11-14)21(22,23)24/h3-13H,1-2H3,(H,25,26,27)
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n/an/a 9.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM395077
PNG
(US10308615, Example 88 | {6-[(4- methoxybenzyl) am...)
Show SMILES COc1ccc(CNc2ccc(nn2)C(=O)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H16F3N3O2/c1-28-16-7-5-13(6-8-16)12-24-18-10-9-17(25-26-18)19(27)14-3-2-4-15(11-14)20(21,22)23/h2-11H,12H2,1H3,(H,24,26)
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n/an/a 9.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM394663
PNG
(US10308615, Example 19 | US10308615, Example 20 | ...)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)c1cnc(NCc2cncnc2)nc1
Show InChI InChI=1S/C17H15N5O3S/c1-26(24,25)15-4-2-3-13(5-15)16(23)14-9-21-17(22-10-14)20-8-12-6-18-11-19-7-12/h2-7,9-11H,8H2,1H3,(H,20,21,22)
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n/an/a 9.40n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 2


(Homo sapiens (Human))
BDBM394648
PNG
(3-[(2-{[1-(pyrazin-2-yl)cyclopropyl]amino}pyrimidi...)
Show SMILES O=C(c1cnc(NC2(CC2)c2cnccn2)nc1)c1cccc(c1)C#N
Show InChI InChI=1S/C19H14N6O/c20-9-13-2-1-3-14(8-13)17(26)15-10-23-18(24-11-15)25-19(4-5-19)16-12-21-6-7-22-16/h1-3,6-8,10-12H,4-5H2,(H,23,24,25)
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n/an/a 9.80n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM395118
PNG
(3-({2-[(1- phenylcyclobutyl) amino]pyrimidin- 5- y...)
Show SMILES O=C(c1cnc(NC2(CCC2)c2ccccc2)nc1)c1cccc(c1)C#N
Show InChI InChI=1S/C22H18N4O/c23-13-16-6-4-7-17(12-16)20(27)18-14-24-21(25-15-18)26-22(10-5-11-22)19-8-2-1-3-9-19/h1-4,6-9,12,14-15H,5,10-11H2,(H,24,25,26)
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n/an/a 9.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM394652
PNG
((−)-4-(1-{[5-(3-cyanobenzoyl)pyrimidin-2-yl]...)
Show SMILES C[C@@H](Nc1ncc(cn1)C(=O)c1cccc(c1)C#N)c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C21H17N5O2/c1-13(15-5-7-16(8-6-15)20(23)28)26-21-24-11-18(12-25-21)19(27)17-4-2-3-14(9-17)10-22/h2-9,11-13H,1H3,(H2,23,28)(H,24,25,26)/t13-/m1/s1
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n/an/a 10.3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM395055
PNG
(US10308615, Example 66 | {2-[(1- phenylcyclopropyl...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2ccccc2)nc1
Show InChI InChI=1S/C21H16F3N3O/c22-21(23,24)17-8-4-5-14(11-17)18(28)15-12-25-19(26-13-15)27-20(9-10-20)16-6-2-1-3-7-16/h1-8,11-13H,9-10H2,(H,25,26,27)
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n/an/a 10.6n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 2


(Homo sapiens (Human))
BDBM395062
PNG
((2-{[(6- methylpyridin-3- yl)methyl]amino} pyrimid...)
Show SMILES Cc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cn1
Show InChI InChI=1S/C19H15F3N4O/c1-12-5-6-13(8-23-12)9-24-18-25-10-15(11-26-18)17(27)14-3-2-4-16(7-14)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,24,25,26)
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n/an/a 10.6n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 2


(Homo sapiens (Human))
BDBM395107
PNG
(3-({2-[(pyridin-3- ylmethyl)amino] pyrimidin-5- yl...)
Show SMILES O=C(c1cnc(NCc2cccnc2)nc1)c1cccc(c1)C#N
Show InChI InChI=1S/C18H13N5O/c19-8-13-3-1-5-15(7-13)17(24)16-11-22-18(23-12-16)21-10-14-4-2-6-20-9-14/h1-7,9,11-12H,10H2,(H,21,22,23)
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n/an/a 11.2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 2


(Homo sapiens (Human))
BDBM395108
PNG
(US10308615, Example 119 | {2-[(pyrimidin-5- ylmeth...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cncnc2)nc1
Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)14-3-1-2-12(4-14)15(26)13-8-24-16(25-9-13)23-7-11-5-21-10-22-6-11/h1-6,8-10H,7H2,(H,23,24,25)
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n/an/a 11.3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM394669
PNG
((3-chlorophenyl){2- [(2-phenylpropan-2- yl)amino]p...)
Show SMILES CC(C)(Nc1ncc(cn1)C(=O)c1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C20H18ClN3O/c1-20(2,16-8-4-3-5-9-16)24-19-22-12-15(13-23-19)18(25)14-7-6-10-17(21)11-14/h3-13H,1-2H3,(H,22,23,24)
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n/an/a 11.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM395054
PNG
(3-({2-[(1- phenylcyclopropyl) amino]pyrimidin- 5- ...)
Show SMILES O=C(c1cccc(c1)C#N)c1cnc(NC2(CC2)c2ccccc2)nc1
Show InChI InChI=1S/C21H16N4O/c22-12-15-5-4-6-16(11-15)19(26)17-13-23-20(24-14-17)25-21(9-10-21)18-7-2-1-3-8-18/h1-8,11,13-14H,9-10H2,(H,23,24,25)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 2


(Homo sapiens (Human))
BDBM394662
PNG
((3-methoxyphenyl)(2-{[1-(pyrimidin-5-yl)cyclopropy...)
Show SMILES COc1cccc(c1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1
Show InChI InChI=1S/C19H17N5O2/c1-26-16-4-2-3-13(7-16)17(25)14-8-22-18(23-9-14)24-19(5-6-19)15-10-20-12-21-11-15/h2-4,7-12H,5-6H2,1H3,(H,22,23,24)
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n/an/a 12.3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 2


(Homo sapiens (Human))
BDBM395118
PNG
(3-({2-[(1- phenylcyclobutyl) amino]pyrimidin- 5- y...)
Show SMILES O=C(c1cnc(NC2(CCC2)c2ccccc2)nc1)c1cccc(c1)C#N
Show InChI InChI=1S/C22H18N4O/c23-13-16-6-4-7-17(12-16)20(27)18-14-24-21(25-15-18)26-22(10-5-11-22)19-8-2-1-3-9-19/h1-4,6-9,12,14-15H,5,10-11H2,(H,24,25,26)
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n/an/a 12.4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM395133
PNG
(3-[(6-{[1- (pyrimidin-5- yl)ethyl]amino} pyridin-3...)
Show SMILES CC(Nc1ccc(cn1)C(=O)c1cccc(c1)C#N)c1cncnc1
Show InChI InChI=1S/C19H15N5O/c1-13(17-9-21-12-22-10-17)24-18-6-5-16(11-23-18)19(25)15-4-2-3-14(7-15)8-20/h2-7,9-13H,1H3,(H,23,24)
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n/an/a 12.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM394657
PNG
((3-methylphenyl){2-[(pyridin-3-ylmethyl)amino]pyri...)
Show SMILES Cc1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1
Show InChI InChI=1S/C18H16N4O/c1-13-4-2-6-15(8-13)17(23)16-11-21-18(22-12-16)20-10-14-5-3-7-19-9-14/h2-9,11-12H,10H2,1H3,(H,20,21,22)
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n/an/a<13n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM394646
PNG
(3-({2-[(2-phenylpropan-2-yl)amino]pyrimidin-5-yl}c...)
Show SMILES CC(C)(Nc1ncc(cn1)C(=O)c1cccc(c1)C#N)c1ccccc1
Show InChI InChI=1S/C21H18N4O/c1-21(2,18-9-4-3-5-10-18)25-20-23-13-17(14-24-20)19(26)16-8-6-7-15(11-16)12-22/h3-11,13-14H,1-2H3,(H,23,24,25)
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n/an/a 13.6n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM394676
PNG
(3-({2-[(4- fluorobenzyl) amino]pyrimidin-5- yl}car...)
Show SMILES Fc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C19H13FN4O/c20-17-6-4-13(5-7-17)10-22-19-23-11-16(12-24-19)18(25)15-3-1-2-14(8-15)9-21/h1-8,11-12H,10H2,(H,22,23,24)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM395085
PNG
(US10308615, Example 96 | {2-[(4- fluorobenzyl) ami...)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)c1cnc(NCc2ccc(F)cc2)nc1
Show InChI InChI=1S/C19H16FN3O3S/c1-27(25,26)17-4-2-3-14(9-17)18(24)15-11-22-19(23-12-15)21-10-13-5-7-16(20)8-6-13/h2-9,11-12H,10H2,1H3,(H,21,22,23)
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n/an/a 14.2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM394677
PNG
(3-({2-[(2- chlorobenzyl) amino]pyrimidin-5- yl}car...)
Show SMILES Clc1ccccc1CNc1ncc(cn1)C(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C19H13ClN4O/c20-17-7-2-1-5-15(17)10-22-19-23-11-16(12-24-19)18(25)14-6-3-4-13(8-14)9-21/h1-8,11-12H,10H2,(H,22,23,24)
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n/an/a 14.3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 2


(Homo sapiens (Human))
BDBM394646
PNG
(3-({2-[(2-phenylpropan-2-yl)amino]pyrimidin-5-yl}c...)
Show SMILES CC(C)(Nc1ncc(cn1)C(=O)c1cccc(c1)C#N)c1ccccc1
Show InChI InChI=1S/C21H18N4O/c1-21(2,18-9-4-3-5-10-18)25-20-23-13-17(14-24-20)19(26)16-8-6-7-15(11-16)12-22/h3-11,13-14H,1-2H3,(H,23,24,25)
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n/an/a 15.3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 2


(Homo sapiens (Human))
BDBM395122
PNG
(3-[(2-{[1- (pyrimidin-5- yl)ethyl]amino} pyrimidin...)
Show SMILES CC(Nc1ncc(cn1)C(=O)c1cccc(c1)C#N)c1cncnc1
Show InChI InChI=1S/C18H14N6O/c1-12(15-7-20-11-21-8-15)24-18-22-9-16(10-23-18)17(25)14-4-2-3-13(5-14)6-19/h2-5,7-12H,1H3,(H,22,23,24)
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n/an/a 15.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM395044
PNG
(US10308615, Example 55 | {2-[(4- methoxybenzyl) am...)
Show SMILES COc1ccc(CNc2ncc(cn2)C(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H16F3N3O2/c1-28-17-8-2-13(3-9-17)10-24-19-25-11-15(12-26-19)18(27)14-4-6-16(7-5-14)20(21,22)23/h2-9,11-12H,10H2,1H3,(H,24,25,26)
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n/an/a<16.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM395109
PNG
(3-({2-[(pyrimidin- 5- ylmethyl)amino] pyrimidin-5-...)
Show SMILES O=C(c1cnc(NCc2cncnc2)nc1)c1cccc(c1)C#N
Show InChI InChI=1S/C17H12N6O/c18-5-12-2-1-3-14(4-12)16(24)15-9-22-17(23-10-15)21-8-13-6-19-11-20-7-13/h1-4,6-7,9-11H,8H2,(H,21,22,23)
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n/an/a 16.6n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM394675
PNG
(3-({2-[(2,4- difluorobenzyl) amino]pyrimidin-5- yl...)
Show SMILES Fc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C19H12F2N4O/c20-16-5-4-14(17(21)7-16)9-23-19-24-10-15(11-25-19)18(26)13-3-1-2-12(6-13)8-22/h1-7,10-11H,9H2,(H,23,24,25)
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PC cid
PC sid
UniChem
US Patent
n/an/a 16.8n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
hmuan vanin-1 assay 3


(Homo sapiens (Human))
BDBM395070
PNG
(US10308615, Example 81 | [4-fluoro-3- (trifluorome...)
Show SMILES Fc1ccc(cc1C(F)(F)F)C(=O)c1cnc(NCc2cccnc2)nc1
Show InChI InChI=1S/C18H12F4N4O/c19-15-4-3-12(6-14(15)18(20,21)22)16(27)13-9-25-17(26-10-13)24-8-11-2-1-5-23-7-11/h1-7,9-10H,8H2,(H,24,25,26)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>16.9n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...


US Patent US10308615 (2019)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 344 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%