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Compile Data Set for Download or QSAR

Found 5 hits of ki data for polymerid = 6028   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50150264
PNG
(CHEMBL3769817)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccc(cc3)-c3ccccn3)c(Nc3ccccc3)c2C1=O
Show InChI InChI=1/C29H27N7O/c1-34-28(37)25-26(31-21-8-3-2-4-9-21)35(33-27(25)36-24-12-7-11-23(24)32-29(34)36)18-19-13-15-20(16-14-19)22-10-5-6-17-30-22/h2-6,8-10,13-17,23-24,31H,7,11-12,18H2,1H3/t23-,24+/s2
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PC sid
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300n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE7B using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50150119
PNG
(CHEMBL3769414)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccc(cc3)-c3cccc(F)n3)c(Nc3ccccc3)c2C1=O
Show InChI InChI=1/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/s2
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360n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE7B using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50150171
PNG
(CHEMBL3770470)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccc(cc3)-c3ccccc3)c(Nc3ccccc3)c2C1=O
Show InChI InChI=1/C30H28N6O/c1-34-29(37)26-27(31-23-11-6-3-7-12-23)35(33-28(26)36-25-14-8-13-24(25)32-30(34)36)19-20-15-17-22(18-16-20)21-9-4-2-5-10-21/h2-7,9-12,15-18,24-25,31H,8,13-14,19H2,1H3/t24-,25+/s2
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910n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE7B using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50150239
PNG
(CHEMBL3769461)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccc(cc3)C(F)(F)F)c(Nc3ccccc3)c2C1=O
Show InChI InChI=1/C25H23F3N6O/c1-32-23(35)20-21(29-17-6-3-2-4-7-17)33(14-15-10-12-16(13-11-15)25(26,27)28)31-22(20)34-19-9-5-8-18(19)30-24(32)34/h2-4,6-7,10-13,18-19,29H,5,8-9,14H2,1H3/t18-,19+/s2
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1.20E+3n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE7B using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50150238
PNG
(CHEMBL3770107)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccc(nc3)C(F)(F)F)c(Nc3ccccc3)c2C1=O
Show InChI InChI=1/C24H22F3N7O/c1-32-22(35)19-20(29-15-6-3-2-4-7-15)33(13-14-10-11-18(28-12-14)24(25,26)27)31-21(19)34-17-9-5-8-16(17)30-23(32)34/h2-4,6-7,10-12,16-17,29H,5,8-9,13H2,1H3/t16-,17+/s2
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6.10E+3n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE7B using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair