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Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'hirsch' and Initial = 'ak'   
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
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50746
PNG
(5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxidanylide...)
Show SMILES COc1ccc(cc1)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H31NO6/c1-35-22-13-11-21(12-14-22)23(17-27(33)32-15-7-8-16-32)29-25(36-2)19-26(37-3)30-24(18-28(34)38-31(29)30)20-9-5-4-6-10-20/h4-6,9-14,18-19,23H,7-8,15-17H2,1-3H3
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350n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240685
PNG
(CHEMBL1522581)
PDB
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570n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]-DTG in guinea pig brain membrane homogenates


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50745
PNG
(3-(5,7-dimethoxy-2-oxidanylidene-4-phenyl-chromen-...)
Show SMILES CCN(CC)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C33H37NO8/c1-8-34(9-2)28(35)17-22(21-15-26(39-5)32(41-7)27(16-21)40-6)30-24(37-3)19-25(38-4)31-23(18-29(36)42-33(30)31)20-13-11-10-12-14-20/h10-16,18-19,22H,8-9,17H2,1-7H3
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590n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM51309
PNG
(5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-(4-morpholi...)
Show SMILES COc1ccc(cc1)C(CC(=O)N1CCOCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H31NO7/c1-35-22-11-9-21(10-12-22)23(17-27(33)32-13-15-38-16-14-32)29-25(36-2)19-26(37-3)30-24(18-28(34)39-31(29)30)20-7-5-4-6-8-20/h4-12,18-19,23H,13-17H2,1-3H3
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800n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240684
PNG
(CHEMBL1309685)
PDB
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1.05E+3n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM61111
PNG
(5,7-dimethoxy-8-[3-oxidanylidene-3-pyrrolidin-1-yl...)
Show SMILES COc1cc(cc(OC)c1OC)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C33H35NO8/c1-37-24-19-25(38-2)31-23(20-11-7-6-8-12-20)18-29(36)42-33(31)30(24)22(17-28(35)34-13-9-10-14-34)21-15-26(39-3)32(41-5)27(16-21)40-4/h6-8,11-12,15-16,18-19,22H,9-10,13-14,17H2,1-5H3
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1.10E+3n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50746
PNG
(5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxidanylide...)
Show SMILES COc1ccc(cc1)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H31NO6/c1-35-22-13-11-21(12-14-22)23(17-27(33)32-15-7-8-16-32)29-25(36-2)19-26(37-3)30-24(18-28(34)38-31(29)30)20-9-5-4-6-10-20/h4-6,9-14,18-19,23H,7-8,15-17H2,1-3H3
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3.40E+3n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50026326
PNG
(CHEMBL3305928)
Show SMILES CCCCOP(O)(=O)C(C)=O
Show InChI InChI=1/C6H13O4P/c1-3-4-5-10-11(8,9)6(2)7/h3-5H2,1-2H3,(H,8,9)
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4.00E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DXS


J Med Chem 57: 9740-63 (2014)


Article DOI: 10.1021/jm5010978
BindingDB Entry DOI: 10.7270/Q29K4CVJ
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240685
PNG
(CHEMBL1522581)
PDB
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4.60E+3n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50745
PNG
(3-(5,7-dimethoxy-2-oxidanylidene-4-phenyl-chromen-...)
Show SMILES CCN(CC)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C33H37NO8/c1-8-34(9-2)28(35)17-22(21-15-26(39-5)32(41-7)27(16-21)40-6)30-24(37-3)19-25(38-4)31-23(18-29(36)42-33(30)31)20-13-11-10-12-14-20/h10-16,18-19,22H,8-9,17H2,1-7H3
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5.10E+3n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Escherichia coli O127:H6 (strain E2348/69 / EPEC))
BDBM50026326
PNG
(CHEMBL3305928)
Show SMILES CCCCOP(O)(=O)C(C)=O
Show InChI InChI=1/C6H13O4P/c1-3-4-5-10-11(8,9)6(2)7/h3-5H2,1-2H3,(H,8,9)
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5.60E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DXS


J Med Chem 57: 9740-63 (2014)


Article DOI: 10.1021/jm5010978
BindingDB Entry DOI: 10.7270/Q29K4CVJ
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM51309
PNG
(5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-(4-morpholi...)
Show SMILES COc1ccc(cc1)C(CC(=O)N1CCOCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H31NO7/c1-35-22-11-9-21(10-12-22)23(17-27(33)32-13-15-38-16-14-32)29-25(36-2)19-26(37-3)30-24(18-28(34)39-31(29)30)20-7-5-4-6-8-20/h4-12,18-19,23H,13-17H2,1-3H3
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6.50E+3n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Escherichia coli O127:H6 (strain E2348/69 / EPEC))
BDBM50026312
PNG
(CHEMBL3306297)
Show SMILES CCOP(O)(=O)C(C)=O
Show InChI InChI=1/C4H9O4P/c1-3-8-9(6,7)4(2)5/h3H2,1-2H3,(H,6,7)
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6.70E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DXS


J Med Chem 57: 9740-63 (2014)


Article DOI: 10.1021/jm5010978
BindingDB Entry DOI: 10.7270/Q29K4CVJ
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240684
PNG
(CHEMBL1309685)
PDB
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6.90E+3n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM61111
PNG
(5,7-dimethoxy-8-[3-oxidanylidene-3-pyrrolidin-1-yl...)
Show SMILES COc1cc(cc(OC)c1OC)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C33H35NO8/c1-37-24-19-25(38-2)31-23(20-11-7-6-8-12-20)18-29(36)42-33(31)30(24)22(17-28(35)34-13-9-10-14-34)21-15-26(39-3)32(41-5)27(16-21)40-4/h6-8,11-12,15-16,18-19,22H,9-10,13-14,17H2,1-5H3
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7.30E+3n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Escherichia coli O127:H6 (strain E2348/69 / EPEC))
BDBM50026348
PNG
(CHEMBL3359030)
Show SMILES CC(=O)P(O)(=O)OCc1ccccc1
Show InChI InChI=1/C9H11O4P/c1-8(10)14(11,12)13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12)
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1.04E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DXS


J Med Chem 57: 9740-63 (2014)


Article DOI: 10.1021/jm5010978
BindingDB Entry DOI: 10.7270/Q29K4CVJ
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Haemophilus influenzae (strain 86-028NP))
BDBM50026349
PNG
(KETOCLOMAZONE)
Show SMILES CC1(C)C(=O)ON(Cc2ccccc2Cl)C1=O
Show InChI InChI=1S/C12H12ClNO3/c1-12(2)10(15)14(17-11(12)16)7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3
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2.33E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Haemophilus influenzae DXS


J Med Chem 57: 9740-63 (2014)


Article DOI: 10.1021/jm5010978
BindingDB Entry DOI: 10.7270/Q29K4CVJ
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50153713
PNG
(3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...)
Show SMILES ON(CCCP(O)(O)=O)C=O
Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
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n/an/a 32n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Dxr


J Med Chem 57: 9740-63 (2014)


Article DOI: 10.1021/jm5010978
BindingDB Entry DOI: 10.7270/Q29K4CVJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50423877
PNG
(DIHYDROTANSHINONE | Dihydrotanshinone I)
Show SMILES C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12 |r,c:4|
Show InChI InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50423877
PNG
(DIHYDROTANSHINONE | Dihydrotanshinone I)
Show SMILES C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12 |r,c:4|
Show InChI InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1
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n/an/a 149n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 3


(Homo sapiens)
BDBM50153015
PNG
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 3


(Homo sapiens)
BDBM50240690
PNG
(CHEMBL4088244)
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n/an/a 200n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240691
PNG
(CHEMBL4061748)
PDB
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n/an/a 380n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 3


(Homo sapiens)
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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n/an/a 600n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Haemophilus influenzae (strain 86-028NP))
BDBM50026350
PNG
(CHEMBL3359031)
Show SMILES CC(C)(C(O)=O)C(=O)N(O)Cc1ccccc1Cl
Show InChI InChI=1S/C12H14ClNO4/c1-12(2,11(16)17)10(15)14(18)7-8-5-3-4-6-9(8)13/h3-6,18H,7H2,1-2H3,(H,16,17)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Haemophilus influenzae DXS


J Med Chem 57: 9740-63 (2014)


Article DOI: 10.1021/jm5010978
BindingDB Entry DOI: 10.7270/Q29K4CVJ
More data for this
Ligand-Target Pair
ELAV-like protein 3


(Homo sapiens)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 3


(Homo sapiens)
BDBM23410
PNG
(2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 3


(Homo sapiens)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50746
PNG
(5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxidanylide...)
Show SMILES COc1ccc(cc1)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H31NO6/c1-35-22-13-11-21(12-14-22)23(17-27(33)32-15-7-8-16-32)29-25(36-2)19-26(37-3)30-24(18-28(34)38-31(29)30)20-9-5-4-6-10-20/h4-6,9-14,18-19,23H,7-8,15-17H2,1-3H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Haemophilus influenzae (strain 86-028NP))
BDBM50026351
PNG
(CHEMBL3359032)
Show SMILES CC(C)(CO)C(=O)N(O)Cc1ccccc1Cl
Show InChI InChI=1S/C12H16ClNO3/c1-12(2,8-15)11(16)14(17)7-9-5-3-4-6-10(9)13/h3-6,15,17H,7-8H2,1-2H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Haemophilus influenzae DXS


J Med Chem 57: 9740-63 (2014)


Article DOI: 10.1021/jm5010978
BindingDB Entry DOI: 10.7270/Q29K4CVJ
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240685
PNG
(CHEMBL1522581)
PDB
MMDB

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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50745
PNG
(3-(5,7-dimethoxy-2-oxidanylidene-4-phenyl-chromen-...)
Show SMILES CCN(CC)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C33H37NO8/c1-8-34(9-2)28(35)17-22(21-15-26(39-5)32(41-7)27(16-21)40-6)30-24(37-3)19-25(38-4)31-23(18-29(36)42-33(30)31)20-13-11-10-12-14-20/h10-16,18-19,22H,8-9,17H2,1-7H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM51309
PNG
(5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-(4-morpholi...)
Show SMILES COc1ccc(cc1)C(CC(=O)N1CCOCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H31NO7/c1-35-22-11-9-21(10-12-22)23(17-27(33)32-13-15-38-16-14-32)29-25(36-2)19-26(37-3)30-24(18-28(34)39-31(29)30)20-7-5-4-6-8-20/h4-12,18-19,23H,13-17H2,1-3H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240686
PNG
(CHEMBL4095140)
PDB
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n/an/a 6.21E+3n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240684
PNG
(CHEMBL1309685)
PDB
MMDB

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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM61111
PNG
(5,7-dimethoxy-8-[3-oxidanylidene-3-pyrrolidin-1-yl...)
Show SMILES COc1cc(cc(OC)c1OC)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C33H35NO8/c1-37-24-19-25(38-2)31-23(20-11-7-6-8-12-20)18-29(36)42-33(31)30(24)22(17-28(35)34-13-9-10-14-34)21-15-26(39-3)32(41-5)27(16-21)40-4/h6-8,11-12,15-16,18-19,22H,9-10,13-14,17H2,1-5H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50746
PNG
(5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxidanylide...)
Show SMILES COc1ccc(cc1)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H31NO6/c1-35-22-13-11-21(12-14-22)23(17-27(33)32-15-7-8-16-32)29-25(36-2)19-26(37-3)30-24(18-28(34)38-31(29)30)20-9-5-4-6-10-20/h4-6,9-14,18-19,23H,7-8,15-17H2,1-3H3
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n/an/a 8.20E+3n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240685
PNG
(CHEMBL1522581)
PDB
MMDB

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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50745
PNG
(3-(5,7-dimethoxy-2-oxidanylidene-4-phenyl-chromen-...)
Show SMILES CCN(CC)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C33H37NO8/c1-8-34(9-2)28(35)17-22(21-15-26(39-5)32(41-7)27(16-21)40-6)30-24(37-3)19-25(38-4)31-23(18-29(36)42-33(30)31)20-13-11-10-12-14-20/h10-16,18-19,22H,8-9,17H2,1-7H3
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n/an/a 1.22E+4n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM51309
PNG
(5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-(4-morpholi...)
Show SMILES COc1ccc(cc1)C(CC(=O)N1CCOCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H31NO7/c1-35-22-11-9-21(10-12-22)23(17-27(33)32-13-15-38-16-14-32)29-25(36-2)19-26(37-3)30-24(18-28(34)39-31(29)30)20-7-5-4-6-8-20/h4-12,18-19,23H,13-17H2,1-3H3
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n/an/a 1.57E+4n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240684
PNG
(CHEMBL1309685)
PDB
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n/an/a 1.65E+4n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM61111
PNG
(5,7-dimethoxy-8-[3-oxidanylidene-3-pyrrolidin-1-yl...)
Show SMILES COc1cc(cc(OC)c1OC)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C33H35NO8/c1-37-24-19-25(38-2)31-23(20-11-7-6-8-12-20)18-29(36)42-33(31)30(24)22(17-28(35)34-13-9-10-14-34)21-15-26(39-3)32(41-5)27(16-21)40-4/h6-8,11-12,15-16,18-19,22H,9-10,13-14,17H2,1-5H3
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n/an/a 1.76E+4n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Mycobacterium tuberculosis)
BDBM50026353
PNG
(CHEMBL3139953)
Show SMILES ON(CCCP(O)(O)=O)C(=O)CCCc1ccccc1
Show InChI InChI=1S/C13H20NO5P/c15-13(14(16)10-5-11-20(17,18)19)9-4-8-12-6-2-1-3-7-12/h1-3,6-7,16H,4-5,8-11H2,(H2,17,18,19)
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n/an/a 1.78E+4n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis Dxr


J Med Chem 57: 9740-63 (2014)


Article DOI: 10.1021/jm5010978
BindingDB Entry DOI: 10.7270/Q29K4CVJ
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240687
PNG
(CHEMBL4066821)
PDB
MMDB

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n/an/a 4.19E+4n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM94953
PNG
(5-Amino-2-p-toluidinobenzenesulfonic acid | 5-amin...)
Show SMILES Cc1ccc(Nc2ccc(N)cc2S(O)(=O)=O)cc1
Show InChI InChI=1S/C13H14N2O3S/c1-9-2-5-11(6-3-9)15-12-7-4-10(14)8-13(12)19(16,17)18/h2-8,15H,14H2,1H3,(H,16,17,18)
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n/an/a 4.44E+4n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240688
PNG
(CHEMBL4077803)
PDB
MMDB

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n/an/a 6.96E+4n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM82867
PNG
(6-penta-1,3-diynyl-2-pyranone | 6-penta-1,3-diynyl...)
Show SMILES CC#CC#Cc1cccc(=O)o1
Show InChI InChI=1S/C10H6O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,1H3
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n/an/a 9.74E+4n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL




J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Deinococcus radiodurans (strain ATCC 13939 / DSM 2...)
BDBM50373886
PNG
(3-Deazathiamine | CHEMBL401772)
Show SMILES Cc1c(Cc2cnc(C)nc2N)csc1CCO
Show InChI InChI=1S/C13H17N3OS/c1-8-11(7-18-12(8)3-4-17)5-10-6-15-9(2)16-13(10)14/h6-7,17H,3-5H2,1-2H3,(H2,14,15,16)
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 4.30E+5n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Deinococcus radiodurans DXS


J Med Chem 57: 9740-63 (2014)


Article DOI: 10.1021/jm5010978
BindingDB Entry DOI: 10.7270/Q29K4CVJ
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Deinococcus radiodurans (strain ATCC 13939 / DSM 2...)
BDBM50026352
PNG
(CHEMBL3359034)
Show SMILES FC(F)(F)Oc1cccc(Cn2cnc3ccccc23)c1
Show InChI InChI=1S/C15H11F3N2O/c16-15(17,18)21-12-5-3-4-11(8-12)9-20-10-19-13-6-1-2-7-14(13)20/h1-8,10H,9H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.95E+5n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Deinococcus radiodurans DXS


J Med Chem 57: 9740-63 (2014)


Article DOI: 10.1021/jm5010978
BindingDB Entry DOI: 10.7270/Q29K4CVJ
More data for this
Ligand-Target Pair
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