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Compile Data Set for Download or QSAR

Found 7 hits of kd data for polymerid = 5514   
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
Translocator protein


(Homo sapiens (Human))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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n/an/an/a 2n/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Binding affinity to human PBR


Bioorg Med Chem 16: 6145-55 (2008)


Article DOI: 10.1016/j.bmc.2008.04.046
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50255226
PNG
((7-chloro-N,N,5-trimethyl-4-oxo-3-phenyl-3,5-dihyd...)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(C)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C21H19ClN4O2/c1-24(2)18(27)12-16-19-15-10-9-13(22)11-17(15)25(3)20(19)21(28)26(23-16)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
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n/an/an/a 3.5n/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Binding affinity to human PBR


Bioorg Med Chem 16: 6145-55 (2008)


Article DOI: 10.1016/j.bmc.2008.04.046
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50045877
PNG
(2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H37FN2O/c1-3-5-7-11-19-31(20-12-8-6-4-2)27(32)21-25-24-13-9-10-14-26(24)30-28(25)22-15-17-23(29)18-16-22/h9-10,13-18,30H,3-8,11-12,19-21H2,1-2H3
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n/an/an/a 4n/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Binding affinity to human PBR


Bioorg Med Chem 16: 6145-55 (2008)


Article DOI: 10.1016/j.bmc.2008.04.046
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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n/an/an/a 6n/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Binding affinity to human PBR


Bioorg Med Chem 16: 6145-55 (2008)


Article DOI: 10.1016/j.bmc.2008.04.046
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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n/an/an/a 11n/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human TSPO by SPR assay


Eur J Med Chem 125: 1172-1192 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.017
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50336914
PNG
(3-[(21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetra...)
Show SMILES CCc1c(C)c2cc3[nH]c(cc4[nH]c(c(CCC(=O)NCCCCCCNC(=O)c5cc6ccccc6c(n5)-c5ccccc5I)c4C)c4cc(O)c5c(C)c(cc1[nH]2)[nH]c45)c(C)c3C=C
Show InChI InChI=1S/C55H56IN7O3/c1-7-35-30(3)42-27-44-32(5)37(52(61-44)40-26-49(64)51-33(6)45(62-54(40)51)29-47-36(8-2)31(4)43(60-47)28-46(35)59-42)21-22-50(65)57-23-15-9-10-16-24-58-55(66)48-25-34-17-11-12-18-38(34)53(63-48)39-19-13-14-20-41(39)56/h7,11-14,17-20,25-29,59-62,64H,1,8-10,15-16,21-24H2,2-6H3,(H,57,65)(H,58,66)/b42-27-,43-28-,44-27-,45-29-,46-28-,47-29-,52-40-
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n/an/an/a 40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to PBR


ACS Med Chem Lett 2: 136-141 (2011)


Article DOI: 10.1021/ml100211g
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50210940
PNG
(CHEMBL3948914)
Show SMILES CC(C)c1ccc(C)c(NC(=O)Cn2c(Cc3c(Cl)cccc3Cl)nc3ccccc23)c1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 108n/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human TSPO by SPR assay


Eur J Med Chem 125: 1172-1192 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.017
More data for this
Ligand-Target Pair