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Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50015710   
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
Translocator protein


(Homo sapiens (Human))
BDBM50421116
PNG
(CHEMBL2088374)
Show SMILES COc1ccc(cc1)-c1ccc2oc(=O)n(CC(=O)N(C)c3ccccc3)c2c1
Show InChI InChI=1S/C23H20N2O4/c1-24(18-6-4-3-5-7-18)22(26)15-25-20-14-17(10-13-21(20)29-23(25)27)16-8-11-19(28-2)12-9-16/h3-14H,15H2,1-2H3
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PubMed
0.280n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50588817
PNG
(CHEMBL5193551)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(OC)cc1
PDB

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0.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM22041
PNG
(2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
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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1.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))
BDBM50588815
PNG
(CHEMBL5208364)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1cccc(c1)[N+]([O-])=O)c1ccccc1O[11CH3]
PDB

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4.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50588814
PNG
(CHEMBL5181329)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccc(OCC[18F])cc1)c1ccccc1
PDB

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6.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50243007
PNG
(2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazo...)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3
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7n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM22041
PNG
(2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3
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7.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50588816
PNG
(CHEMBL5191240)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(O)cc1
PDB

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22n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50122293
PNG
(CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...)
Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
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n/an/a 0.280n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50185957
PNG
(CHEMBL205767 | N-(2-isopropoxybenzyl)-N-(4-chloro-...)
Show SMILES CC(C)Oc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C24H24ClNO3/c1-17(2)28-23-12-8-7-9-19(23)16-26(18(3)27)22-14-13-20(25)15-24(22)29-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3
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n/an/a 0.920n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50588812
PNG
(CHEMBL5179737)
Show SMILES CN(C(C)=O)c1ccccc1Oc1ccccc1
KEGG

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UniChem
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n/an/a 6.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50229594
PNG
(CHEMBL253597 | N-(2-methoxybenzyl)-N-(4-phenoxypyr...)
Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1
Show InChI InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3
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n/an/a 8.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50588813
PNG
(CHEMBL5199978)
Show SMILES CC(=O)N(Cc1ccccc1OC[18F])c1cnccc1Oc1ccccc1
KEGG

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n/an/a 8.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50588820
PNG
(CHEMBL5181262)
Show SMILES CCN(CC)C(=O)Cn1c2ccccc2c2nc(c(C)n2c1=O)-c1ccccc1
PDB

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n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50588823
PNG
(CHEMBL5183217)
Show SMILES CCCN(CCC)C(=O)Cn1c2ccccc2c2nc(cn2c1=O)-c1ccccc1
PDB

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n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50588823
PNG
(CHEMBL5183217)
Show SMILES CCCN(CCC)C(=O)Cn1c2ccccc2c2nc(cn2c1=O)-c1ccccc1
PDB

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n/an/a 12n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50579426
PNG
(CGS-13767 | CHEMBL330116)
Show SMILES Oc1nc2ccccc2c2nc(nn12)-c1ccccc1
PDB

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n/an/a 15n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50588820
PNG
(CHEMBL5181262)
Show SMILES CCN(CC)C(=O)Cn1c2ccccc2c2nc(c(C)n2c1=O)-c1ccccc1
PDB

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PubMed
n/an/a 29n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50588821
PNG
(CHEMBL5200308)
Show SMILES CCN(CC)C(=O)Cn1c2ccccc2c2nc(cn2c1=O)-c1ccccc1
PDB

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n/an/a 80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50588822
PNG
(CHEMBL5202023)
Show SMILES CCN(CC)C(=O)Cn1c2ccccc2c2nc(cn2c1=O)-c1ccc(OC)c(OC)c1
PDB

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n/an/a 150n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50588821
PNG
(CHEMBL5200308)
Show SMILES CCN(CC)C(=O)Cn1c2ccccc2c2nc(cn2c1=O)-c1ccccc1
PDB

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UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50588822
PNG
(CHEMBL5202023)
Show SMILES CCN(CC)C(=O)Cn1c2ccccc2c2nc(cn2c1=O)-c1ccc(OC)c(OC)c1
PDB

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UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50588824
PNG
(CHEMBL5181685)
Show SMILES CCN(CC)C(=O)Cn1c2ccccc2c2nc(nn2c1=O)-c1ccccc1
PDB

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UniProtKB/SwissProt

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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50579426
PNG
(CGS-13767 | CHEMBL330116)
Show SMILES Oc1nc2ccccc2c2nc(nn12)-c1ccccc1
PDB

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n/an/a 9.80E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50274258
PNG
(2-(6,8-Dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]p...)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(Cl)cc(Cl)cn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H25Cl2N3O2/c1-4-10-26(11-5-2)20(28)13-19-21(15-6-8-17(29-3)9-7-15)25-22-18(24)12-16(23)14-27(19)22/h6-9,12,14H,4-5,10-11,13H2,1-3H3
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n/an/an/an/a 571n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50588816
PNG
(CHEMBL5191240)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(O)cc1
KEGG

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UniChem
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PubMed
n/an/an/an/a 6.99E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50588818
PNG
(CHEMBL5174807)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(Cl)cc(Cl)cn12)-c1ccc(OCC(O)=O)cc1
KEGG

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n/an/an/an/a 3.90E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50588819
PNG
(CHEMBL5194870)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(NCC(O)=O)cccn12)-c1ccc(Cl)cc1
KEGG

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UniChem
Article
PubMed
n/an/an/an/a 2.12E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50588817
PNG
(CHEMBL5193551)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(OC)cc1
KEGG

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.59E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50060095
PNG
(2-[6,8-Dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]...)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(Cl)cc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22Cl3N3O/c1-3-9-26(10-4-2)19(28)12-18-20(14-5-7-15(22)8-6-14)25-21-17(24)11-16(23)13-27(18)21/h5-8,11,13H,3-4,9-10,12H2,1-2H3
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PubMed
n/an/an/an/a 337n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD
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Ligand-Target Pair