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Compile Data Set for Download or QSAR

Found 9 hits of ec50 data for polymerid = 2326,2329,3113   
Target
(Institution)
LigandTarget
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
Anandamide amidohydrolase


(Homo sapiens (human))
BDBM50339872
PNG
((S)-3-(1-(4-(5-chlorothiophen-2-yl)pyrimidin-2-yl)...)
Show SMILES FC(F)(F)Cn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2ccc(Cl)s2)c1=O
Show InChI InChI=1S/C21H18ClF3N6OS/c22-17-6-5-16(33-17)14-7-9-27-19(28-14)29-10-2-3-13(11-29)31-18-15(4-1-8-26-18)30(20(31)32)12-21(23,24)25/h1,4-9,13H,2-3,10-12H2/t13-/m0/s1
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PubMed
n/an/an/an/a 2n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of FAAH in human T84 cell assessed as conversion of [3H]AEA to [3H]ethanolamine by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Homo sapiens (human))
BDBM50339871
PNG
((S)-3-(1-(4-(5-chlorothiophen-2-yl)pyrimidin-2-yl)...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2ccc(Cl)s2)c1=O
Show InChI InChI=1S/C21H21ClN6OS/c1-2-27-16-6-3-10-23-19(16)28(21(27)29)14-5-4-12-26(13-14)20-24-11-9-15(25-20)17-7-8-18(22)30-17/h3,6-11,14H,2,4-5,12-13H2,1H3/t14-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of FAAH in human T84 cell assessed as conversion of [3H]AEA to [3H]ethanolamine by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Homo sapiens (human))
BDBM50339886
PNG
((S)-3-(1-(2-amino-6-(4-fluorophenyl)pyrimidin-4-yl...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2cc(nc(N)n2)-c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H24FN7O/c1-2-30-19-6-3-11-26-21(19)31(23(30)32)17-5-4-12-29(14-17)20-13-18(27-22(25)28-20)15-7-9-16(24)10-8-15/h3,6-11,13,17H,2,4-5,12,14H2,1H3,(H2,25,27,28)/t17-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of FAAH in human T84 cell assessed as conversion of [3H]AEA to [3H]ethanolamine by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50339873
PNG
((S)-3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2cc3ccccc3s2)c1=O
Show InChI InChI=1S/C25H24N6OS/c1-2-30-20-9-5-12-26-23(20)31(25(30)32)18-8-6-14-29(16-18)24-27-13-11-19(28-24)22-15-17-7-3-4-10-21(17)33-22/h3-5,7,9-13,15,18H,2,6,8,14,16H2,1H3/t18-/m0/s1
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n/an/an/an/a 80n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat RBL cell assessed as conversion of [3H]AEA to [3H]ethanolamine by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50339872
PNG
((S)-3-(1-(4-(5-chlorothiophen-2-yl)pyrimidin-2-yl)...)
Show SMILES FC(F)(F)Cn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2ccc(Cl)s2)c1=O
Show InChI InChI=1S/C21H18ClF3N6OS/c22-17-6-5-16(33-17)14-7-9-27-19(28-14)29-10-2-3-13(11-29)31-18-15(4-1-8-26-18)30(20(31)32)12-21(23,24)25/h1,4-9,13H,2-3,10-12H2/t13-/m0/s1
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PC sid
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PubMed
n/an/an/an/a 100n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat RBL cell assessed as conversion of [3H]AEA to [3H]ethanolamine by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50339886
PNG
((S)-3-(1-(2-amino-6-(4-fluorophenyl)pyrimidin-4-yl...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2cc(nc(N)n2)-c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H24FN7O/c1-2-30-19-6-3-11-26-21(19)31(23(30)32)17-5-4-12-29(14-17)20-13-18(27-22(25)28-20)15-7-9-16(24)10-8-15/h3,6-11,13,17H,2,4-5,12,14H2,1H3,(H2,25,27,28)/t17-/m0/s1
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 100n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat RBL cell assessed as conversion of [3H]AEA to [3H]ethanolamine by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50339871
PNG
((S)-3-(1-(4-(5-chlorothiophen-2-yl)pyrimidin-2-yl)...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2ccc(Cl)s2)c1=O
Show InChI InChI=1S/C21H21ClN6OS/c1-2-27-16-6-3-10-23-19(16)28(21(27)29)14-5-4-12-26(13-14)20-24-11-9-15(25-20)17-7-8-18(22)30-17/h3,6-11,14H,2,4-5,12-13H2,1H3/t14-/m0/s1
PDB
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 280n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat RBL cell assessed as conversion of [3H]AEA to [3H]ethanolamine by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Homo sapiens (human))
BDBM50339891
PNG
((S)-1-ethyl-3-(1-(4-(thiophen-2-yl)pyrimidin-2-yl)...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2cccs2)c1=O
Show InChI InChI=1S/C21H22N6OS/c1-2-26-17-7-3-10-22-19(17)27(21(26)28)15-6-4-12-25(14-15)20-23-11-9-16(24-20)18-8-5-13-29-18/h3,5,7-11,13,15H,2,4,6,12,14H2,1H3/t15-/m0/s1
PDB
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 350n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of FAAH in human T84 cell assessed as conversion of [3H]AEA to [3H]ethanolamine by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50339891
PNG
((S)-1-ethyl-3-(1-(4-(thiophen-2-yl)pyrimidin-2-yl)...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2cccs2)c1=O
Show InChI InChI=1S/C21H22N6OS/c1-2-26-17-7-3-10-22-19(17)27(21(26)28)15-6-4-12-25(14-15)20-23-11-9-16(24-20)18-8-5-13-29-18/h3,5,7-11,13,15H,2,4,6,12,14H2,1H3/t15-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/an/an/a 1.80E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat RBL cell assessed as conversion of [3H]AEA to [3H]ethanolamine by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair