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Compile Data Set for Download or QSAR

Found 4 hits of ic50 data for polymerid = 50007108   
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
Psychosine receptor


(Homo sapiens (Human))
BDBM50175290
PNG
(CHEMBL3810385)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2Nc3ccc(CN4CCCCC4)cc3CCc2c1
Show InChI InChI=1S/C31H37N5/c1-4-29-34-30-21(2)16-22(3)32-31(30)36(29)20-24-9-13-28-26(18-24)11-10-25-17-23(8-12-27(25)33-28)19-35-14-6-5-7-15-35/h8-9,12-13,16-18,33H,4-7,10-11,14-15,19-20H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/a7.2n/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA-tagged TDAG8 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP res...


ACS Med Chem Lett 7: 493-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00014
BindingDB Entry DOI: 10.7270/Q2833TZR
More data for this
Ligand-Target Pair
Psychosine receptor


(Homo sapiens (Human))
BDBM123510
PNG
(US8748435, 35)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-c1nnc(o1)C1CCNCC1
Show InChI InChI=1S/C24H28N6O/c1-4-21-20(22-26-15(2)13-16(3)30(22)29-21)14-17-5-7-18(8-6-17)23-27-28-24(31-23)19-9-11-25-12-10-19/h5-8,13,19,25H,4,9-12,14H2,1-3H3
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MCE
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of TDAG8 (unknown origin) expressed in human HeLa cells assessed as reduction in cAMP accumulation


J Med Chem 60: 3672-3683 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01703
BindingDB Entry DOI: 10.7270/Q28P6349
More data for this
Ligand-Target Pair
Psychosine receptor


(Homo sapiens (Human))
BDBM50260351
PNG
(CHEMBL4086667)
Show SMILES CC(C)(C)CN(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)c1ccnc(n1)C#N
Show InChI InChI=1S/C30H42N6/c1-30(2,3)24-36(29-13-16-32-28(22-31)33-29)23-26-11-9-25(10-12-26)8-7-17-34-20-14-27(15-21-34)35-18-5-4-6-19-35/h7-13,16,27H,4-6,14-15,17-21,23-24H2,1-3H3/b8-7+
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n/an/a>2.30E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human TDAG8 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation preincubated for 10 mins fo...


Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
Psychosine receptor


(Homo sapiens (Human))
BDBM50260350
PNG
(CHEMBL4078089)
Show SMILES CC(C)N1CCN(CC#Cc2ccc(CN(CC(C)(C)C)c3ccnc(n3)C#N)cc2)CC1
Show InChI InChI=1S/C27H36N6/c1-22(2)32-17-15-31(16-18-32)14-6-7-23-8-10-24(11-9-23)20-33(21-27(3,4)5)26-12-13-29-25(19-28)30-26/h8-13,22H,14-18,20-21H2,1-5H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human TDAG8 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation preincubated for 10 mins fo...


Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair