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Compile Data Set for Download or QSAR

Found 2329 hits with Last Name = 'lai' and Initial = 'z'   
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
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484570
PNG
(US10934294, Example 91 | US10934294, Example 92 | ...)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncc(cn1)C1CC1 |r|
PDB

UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484529
PNG
(US10934294, Example 50 | US10934294, Example 51 | ...)
Show SMILES CC(c1ccc(nc1)C1CC1)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484541
PNG
(US10934294, Example 62 | US11028092, Example 63)
Show SMILES CCc1cnc(nc1)C1CCC1c1nc2n(nc(C#N)c2c(=O)[nH]1)[C@@H](C)c1ccc(nc1)C(F)(F)F |r|
PDB

UniProtKB/SwissProt

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UniChem
US Patent
0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484497
PNG
(US10934294, Example 19 | US10934294, Example 20 | ...)
Show SMILES CC(c1ccc(cc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484551
PNG
(US10934294, Example 72 | US10934294, Example 73 | ...)
Show SMILES CC(c1ccc(nc1)C1CC1)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncc(F)cn1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
0.0200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484572
PNG
(US10934294, Example 93)
Show SMILES C[C@@H](c1cnc(nc1)C1CC1)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@H]1c1ncccn1 |r|
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484593
PNG
(US10934294, Example 111)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@H]1c1nccc(C)n1
Show InChI InChI=1S/C23H19F3N8O/c1-11-7-8-28-19(30-11)14-4-5-15(14)20-31-21-18(22(35)32-20)16(9-27)33-34(21)12(2)13-3-6-17(29-10-13)23(24,25)26/h3,6-8,10,12,14-15H,4-5H2,1-2H3,(H,31,32,35)/t12-,14+,15-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484596
PNG
(US10934294, Example 114 | US11028092, Example 114)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@@H]1c1nccc(n1)C1CC1 |r|
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484509
PNG
(US10934294, Example 31 | US10934294, Example 32 | ...)
Show SMILES CC(c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncc(C)cn1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
0.0400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484591
PNG
(US10934294, Example 110 | US11028092, Example 110)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@@H]1c1nccc(C)n1
Show InChI InChI=1S/C23H19F3N8O/c1-11-7-8-28-19(30-11)14-4-5-15(14)20-31-21-18(22(35)32-20)16(9-27)33-34(21)12(2)13-3-6-17(29-10-13)23(24,25)26/h3,6-8,10,12,14-15H,4-5H2,1-2H3,(H,31,32,35)/t12-,14-,15-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
0.0500n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484539
PNG
(US10934294, Example 60 | US10934294, Example 61 | ...)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncc(OC(F)F)cn1 |r|
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
0.0800n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484559
PNG
(US10934294, Example 80 | US10934294, Example 81 | ...)
Show SMILES CC(c1cnc(nc1)C1CC1)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@@H]1c1ncc(F)cn1 |r|
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
0.0900n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484484
PNG
(US10934294, Example 6 | US11028092, Example 6)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@@H]1c1ncccn1 |r|
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484489
PNG
(US10934294, Example 11 | US10934294, Example 12 | ...)
Show SMILES CC(c1ccc(cc1)C#N)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484501
PNG
(US10934294, Example 23 | US10934294, Example 24 | ...)
Show SMILES CC(c1cccc(c1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484537
PNG
(US10934294, Example 58 | US10934294, Example 59 | ...)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncc(Br)cn1 |r|
PDB

UniProtKB/SwissProt

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UniChem
US Patent
0.120n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484517
PNG
(US10934294, Example 38 | US10934294, Example 39 | ...)
Show SMILES CC(c1ccc(nc1)C(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
0.130n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484594
PNG
(BDBM502802 | US10934294, Example 112)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@@H]1c1nccc(n1)C(F)F |r|
PDB

UniProtKB/SwissProt

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UniChem
US Patent
0.130n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484542
PNG
(US10934294, Example 63 | US10934294, Example 97 | ...)
Show SMILES COc1cnc(nc1)C1CCC1c1nc2n(nc(C#N)c2c(=O)[nH]1)[C@@H](C)c1ccc(nc1)C(F)(F)F |r|
PDB

UniProtKB/SwissProt

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UniChem
US Patent
0.150n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484583
PNG
(US10934294, Example 102 | US10934294, Example 103 ...)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncc(cn1)C(F)F |r|
PDB

UniProtKB/SwissProt

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UniChem
US Patent
0.180n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484587
PNG
(US10934294, Example 106 | US10934294, Example 107 ...)
Show SMILES CC(c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncc(Cl)cn1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
0.200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484480
PNG
(US10934294, Example 2 | US11028092, Example 2)
Show SMILES C[C@@H](c1ccc(F)cc1)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@@H]1c1ncccn1 |r|
PDB

UniProtKB/SwissProt

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UniChem
US Patent
0.200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484525
PNG
(US10934294, Example 46 | US10934294, Example 47 | ...)
Show SMILES CC(C1CCOCC1)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
0.220n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484561
PNG
(US10934294, Example 82 | US11028092, Example 82)
Show SMILES CC(c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncc(cn1)C#C
PDB

UniProtKB/SwissProt

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UniChem
US Patent
0.230n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484563
PNG
(US10934294, Example 84 | US11028092, Example 84)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@@H]1c1ncc(F)cn1 |r|
PDB

UniProtKB/SwissProt

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US Patent
0.25n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484595
PNG
(US10934294, Example 113 | US11028092, Example 113)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@@H]1c1nc(cc(n1)C(C)(C)C)C(C)(C)C |r|
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US Patent
0.270n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484569
PNG
(US10934294, Example 90)
Show SMILES C[C@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@@H]1c1ncc(cn1)C#N
Show InChI InChI=1S/C23H16F3N9O/c1-11(13-2-5-17(29-10-13)23(24,25)26)35-21-18(16(7-28)34-35)22(36)33-20(32-21)15-4-3-14(15)19-30-8-12(6-27)9-31-19/h2,5,8-11,14-15H,3-4H2,1H3,(H,32,33,36)/t11-,14+,15+/m1/s1
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US Patent
0.300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50315769
PNG
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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0.380n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of human Aurora B ATP binding site by rapid dilution method


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50315769
PNG
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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0.380n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of Aurora B ATP binding site


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484493
PNG
(US10934294, Example 15 | US10934294, Example 16 | ...)
Show SMILES CC(c1ccc(F)c(F)c1)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
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US Patent
0.400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484505
PNG
(US10934294, Example 27 | US10934294, Example 28 | ...)
Show SMILES CC(c1cnc(cn1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
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US Patent
0.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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0.600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50369890
PNG
(CHEMBL1237140 | CHEMBL1788167)
Show SMILES CCCCC1(CCCC)N[C@@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H34N4/c1-3-5-16-28(17-6-4-2)26-22(21-14-10-11-15-23(21)30-26)18-24(32-28)27-29-19-25(31-27)20-12-8-7-9-13-20/h7-15,19,24,30,32H,3-6,16-18H2,1-2H3,(H,29,31)/t24-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS14 from human SST3 expressed in CHO membrane after 60 to 90 mins by scintillation counting


ACS Med Chem Lett 5: 690-5 (2014)


Article DOI: 10.1021/ml500079u
BindingDB Entry DOI: 10.7270/Q22N53V4
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484567
PNG
(US10934294, Example 88)
Show SMILES C[C@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1(C)CCC1c1ncccn1 |r|
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US Patent
0.700n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484529
PNG
(US10934294, Example 50 | US10934294, Example 51 | ...)
Show SMILES CC(c1ccc(nc1)C1CC1)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
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US Patent
0.800n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50021074
PNG
(CHEMBL3287628)
Show SMILES Clc1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc3ccccc3c2)cc1Cl |r|
Show InChI InChI=1S/C24H24Cl2N2O/c25-20-12-9-16(13-21(20)26)15-27-22-7-3-4-8-23(22)28-24(29)19-11-10-17-5-1-2-6-18(17)14-19/h1-2,5-6,9-14,22-23,27H,3-4,7-8,15H2,(H,28,29)/t22-,23+/m0/s1
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0.815n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS14 from human SST3 expressed in CHO membrane after 60 to 90 mins by scintillation counting


ACS Med Chem Lett 5: 690-5 (2014)


Article DOI: 10.1021/ml500079u
BindingDB Entry DOI: 10.7270/Q22N53V4
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484525
PNG
(US10934294, Example 46 | US10934294, Example 47 | ...)
Show SMILES CC(C1CCOCC1)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
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US Patent
0.900n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484555
PNG
(US10934294, Example 76 | US10934294, Example 77 | ...)
Show SMILES CC(c1cnc(s1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
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US Patent
1.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484513
PNG
(US10934294, Example 34 | US10934294, Example 35 | ...)
Show SMILES CC(c1cnc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
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US Patent
1.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484573
PNG
(US10934294, Example 94 | US11028092, Example 93)
Show SMILES C[C@@H](c1cnc(nc1)C1CC1)n1nc(C#N)c2c1nc([nH]c2=O)[C@@H]1CC[C@H]1c1ncccn1 |r|
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US Patent
1.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50110470
PNG
(CHEMBL3605798)
Show SMILES Cc1ccc(cc1)-c1c[nH]c(n1)C1(CCCC1)NCCCc1ccccc1
Show InChI InChI=1S/C24H29N3/c1-19-11-13-21(14-12-19)22-18-25-23(27-22)24(15-5-6-16-24)26-17-7-10-20-8-3-2-4-9-20/h2-4,8-9,11-14,18,26H,5-7,10,15-17H2,1H3,(H,25,27)
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1.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells after 60 to 90 mins


Bioorg Med Chem Lett 25: 3520-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.087
BindingDB Entry DOI: 10.7270/Q29W0H9M
More data for this
Ligand-Target Pair
Aurora kinase C


(Homo sapiens (Human))
BDBM50315769
PNG
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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1.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of human Aurora C ATP binding site


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484574
PNG
(US10934294, Example 95 | US11028092, Example 94)
Show SMILES C[C@@H](c1cnc(nc1)C1CC1)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@@H]1c1ncccn1 |r|
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1.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484489
PNG
(US10934294, Example 11 | US10934294, Example 12 | ...)
Show SMILES CC(c1ccc(cc1)C#N)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
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1.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484559
PNG
(US10934294, Example 80 | US10934294, Example 81 | ...)
Show SMILES CC(c1cnc(nc1)C1CC1)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@@H]1c1ncc(F)cn1 |r|
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1.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484579
PNG
(US10934294, Example 100 | US10934294, Example 101 ...)
Show SMILES C[C@@H](c1ccc(F)cn1)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1 |r|
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1.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484501
PNG
(US10934294, Example 23 | US10934294, Example 24 | ...)
Show SMILES CC(c1cccc(c1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
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1.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM484497
PNG
(US10934294, Example 19 | US10934294, Example 20 | ...)
Show SMILES CC(c1ccc(cc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
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US Patent
1.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...


US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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1.80n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of Aurora B ATP binding site


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50110461
PNG
(CHEMBL3605789)
Show SMILES Fc1ccc(cc1)-c1c[nH]c(n1)C1(CCCC1)NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H23FN4/c24-18-9-7-16(8-10-18)21-15-26-22(28-21)23(11-3-4-12-23)27-14-17-13-25-20-6-2-1-5-19(17)20/h1-2,5-10,13,15,25,27H,3-4,11-12,14H2,(H,26,28)
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells after 60 to 90 mins


Bioorg Med Chem Lett 25: 3520-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.087
BindingDB Entry DOI: 10.7270/Q29W0H9M
More data for this
Ligand-Target Pair
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