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Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'unver' and Initial = 'my'   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50462575
PNG
(CHEMBL4238121)
Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](COCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H31N5O5S/c28-26(29)23-13-11-20(12-14-23)15-30-25(33)16-31-27(34)24(18-37-17-21-7-3-1-4-8-21)32-38(35,36)19-22-9-5-2-6-10-22/h1-14,24,32H,15-19H2,(H3,28,29)(H,30,33)(H,31,34)/t24-/m1/s1
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29n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) pre-incubated for 2 hrs before fluorescence substrate addition and measured after 5 mins by fluorescence as...


J Med Chem 61: 9395-9409 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00266
BindingDB Entry DOI: 10.7270/Q2765J0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE sequence of Mushashi1 transcript complex formation after 2 hrs by fluorescence polarization assay


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240685
PNG
(CHEMBL1522581)
Show SMILES CCN(CC)C(=O)CC(c1ccc(OC)cc1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H33NO6/c1-6-32(7-2)27(33)17-23(21-13-15-22(35-3)16-14-21)29-25(36-4)19-26(37-5)30-24(18-28(34)38-31(29)30)20-11-9-8-10-12-20/h8-16,18-19,23H,6-7,17H2,1-5H3
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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
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE sequence of Mushashi1 transcript complex formation after 2 hrs by fluorescence polarization assay


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
Bifunctional ligase/repressor BirA


(Staphylococcus aureus)
BDBM161470
PNG
(US9108978, 4.01)
Show SMILES Nc1ncnc2n(CCCCn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)cnc12 |r|
Show InChI InChI=1S/C21H30N10OS/c22-19-18-20(24-12-23-19)30(13-25-18)8-4-5-9-31-10-14(28-29-31)6-2-1-3-7-16-17-15(11-33-16)26-21(32)27-17/h10,12-13,15-17H,1-9,11H2,(H2,22,23,24)(H2,26,27,32)/t15-,16-,17-/m0/s1
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660n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus biotin protein ligase by LC/MS-SIM analysis


J Med Chem 61: 9395-9409 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00266
BindingDB Entry DOI: 10.7270/Q2765J0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE sequence of Mushashi1 transcript complex formation after 2 hrs by fluorescence polarization assay


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240684
PNG
(CHEMBL1309685)
Show SMILES COc1cc(OC)c2c(cc(=O)oc2c1C(CC(=O)N1CCCC1)c1ccc2OCOc2c1)-c1ccccc1
Show InChI InChI=1S/C31H29NO7/c1-35-25-17-26(36-2)30-22(19-8-4-3-5-9-19)16-28(34)39-31(30)29(25)21(15-27(33)32-12-6-7-13-32)20-10-11-23-24(14-20)38-18-37-23/h3-5,8-11,14,16-17,21H,6-7,12-13,15,18H2,1-2H3
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1.05E+3n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE sequence of Mushashi1 transcript complex formation after 2 hrs by fluorescence polarization assay


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE sequence of Mushashi1 transcript complex formation after 2 hrs by fluorescence polarization assay


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV1 RRM1/RRM2 domains (unknown origin) interaction with ARE sequence of Mushashi1 transcript after 2 hrs by AlphaLISA method


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240685
PNG
(CHEMBL1522581)
Show SMILES CCN(CC)C(=O)CC(c1ccc(OC)cc1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H33NO6/c1-6-32(7-2)27(33)17-23(21-13-15-22(35-3)16-14-21)29-25(36-4)19-26(37-5)30-24(18-28(34)38-31(29)30)20-11-9-8-10-12-20/h8-16,18-19,23H,6-7,17H2,1-5H3
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4.60E+3n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Inhibition of ELAV1 RRM1/RRM2 domains (unknown origin) interaction with ARE sequence of Mushashi1 transcript after 2 hrs by AlphaLISA method


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV1 RRM1/RRM2 domains (unknown origin) interaction with ARE sequence of Mushashi1 transcript after 2 hrs by AlphaLISA method


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV1 RRM1/RRM2 domains (unknown origin) interaction with ARE sequence of Mushashi1 transcript after 2 hrs by AlphaLISA method


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240684
PNG
(CHEMBL1309685)
Show SMILES COc1cc(OC)c2c(cc(=O)oc2c1C(CC(=O)N1CCCC1)c1ccc2OCOc2c1)-c1ccccc1
Show InChI InChI=1S/C31H29NO7/c1-35-25-17-26(36-2)30-22(19-8-4-3-5-9-19)16-28(34)39-31(30)29(25)21(15-27(33)32-12-6-7-13-32)20-10-11-23-24(14-20)38-18-37-23/h3-5,8-11,14,16-17,21H,6-7,12-13,15,18H2,1-2H3
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6.90E+3n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Inhibition of ELAV1 RRM1/RRM2 domains (unknown origin) interaction with ARE sequence of Mushashi1 transcript after 2 hrs by AlphaLISA method


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV1 RRM1/RRM2 domains (unknown origin) interaction with ARE sequence of Mushashi1 transcript after 2 hrs by AlphaLISA method


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM84460
PNG
(HIV-1 PR Inhibitor, compound 6)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(COC(=O)N[C@@H]2[C@H](O)Cc3ccccc23)nn1 |r|
Show InChI InChI=1S/C34H41N5O7S/c1-23(2)19-38(47(43,44)28-15-13-27(45-3)14-16-28)21-32(41)30(17-24-9-5-4-6-10-24)39-20-26(36-37-39)22-46-34(42)35-33-29-12-8-7-11-25(29)18-31(33)40/h4-16,20,23,30-33,40-41H,17-19,21-22H2,1-3H3,(H,35,42)/t30-,31+,32+,33-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease after 24 hrs by LC/MS-SIM analysis


J Med Chem 61: 9395-9409 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00266
BindingDB Entry DOI: 10.7270/Q2765J0C
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)
BDBM50462584
PNG
(CHEMBL4245260)
Show SMILES CNC(=O)NC(=N)NCCC[C@H](NC(=O)Cn1nncc1CO\N=C\c1ccnc2ccccc12)C(=O)N(Cc1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C37H41N11O4/c1-39-37(51)45-36(38)41-19-10-17-33(35(50)47(23-27-11-4-2-5-12-27)24-28-13-6-3-7-14-28)44-34(49)25-48-30(22-42-46-48)26-52-43-21-29-18-20-40-32-16-9-8-15-31(29)32/h2-9,11-16,18,20-22,33H,10,17,19,23-26H2,1H3,(H,44,49)(H4,38,39,41,45,51)/b43-21+/t33-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens 6x-His-tagged ChiB after 20 hrs by LCMS-SIR analysis


J Med Chem 61: 9395-9409 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00266
BindingDB Entry DOI: 10.7270/Q2765J0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50462574
PNG
(CHEMBL4241044)
Show SMILES ONC(=O)C[C@@H](Cc1ccc2ccccc2c1)n1cc(CNC(=O)c2ccc(F)cc2)nn1 |r|
Show InChI InChI=1S/C24H22FN5O3/c25-20-9-7-18(8-10-20)24(32)26-14-21-15-30(29-27-21)22(13-23(31)28-33)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-11,15,22,33H,12-14H2,(H,26,32)(H,28,31)/t22-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human IDE using insulin as substrate preincubated for 10 mis followed by substrate addition and measured after 30 mins


J Med Chem 61: 9395-9409 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00266
BindingDB Entry DOI: 10.7270/Q2765J0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50462579
PNG
(CHEMBL4250387)
Show SMILES CCOC(=O)c1cccc(CSCc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C17H19NO4S2/c1-2-22-17(19)15-5-3-4-14(10-15)12-23-11-13-6-8-16(9-7-13)24(18,20)21/h3-10H,2,11-12H2,1H3,(H2,18,20,21)
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n/an/a 59n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of CA2 (unknown origin)


J Med Chem 61: 9395-9409 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00266
BindingDB Entry DOI: 10.7270/Q2765J0C
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50423877
PNG
(DIHYDROTANSHINONE | Dihydrotanshinone I | acs.jmed...)
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


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE TNFalpha complex formation after 90 mins by AlphaScreen assay


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50423877
PNG
(DIHYDROTANSHINONE | Dihydrotanshinone I | acs.jmed...)
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


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE TNFalpha complex formation after 3 hrs by REMSA method


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
ELAV-like protein 3


(Homo sapiens)
BDBM50240690
PNG
(CHEMBL4088244)
Show SMILES COc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C23H20O11/c1-32-11-6-13(24)12-8-19(34-23(31)10-4-16(27)21(30)17(28)5-10)22(33-18(12)7-11)9-2-14(25)20(29)15(26)3-9/h2-7,19,22,24-30H,8H2,1H3/t19-,22-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Inhibition of ELAV3 (unknown origin)-artificial ARE complex formation after 30 mins in the presence of biotin-labeled RNA probe by chemiluminescence ...


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV3 (unknown origin)-artificial ARE complex formation after 30 mins in the presence of biotin-labeled RNA probe by chemiluminescence ...


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240691
PNG
(CHEMBL4061748)
Show SMILES Nc1nc(SCC(=O)c2ccc(O)c(O)c2)c(C#N)c(-c2ccc(COc3ccccc3)cc2)c1C#N
Show InChI InChI=1S/C28H20N4O4S/c29-13-21-26(18-8-6-17(7-9-18)15-36-20-4-2-1-3-5-20)22(14-30)28(32-27(21)31)37-16-25(35)19-10-11-23(33)24(34)12-19/h1-12,33-34H,15-16H2,(H2,31,32)
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n/an/a 380n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE TNFalpha complex formation after 20 mins by liquid scintillation counting method


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)
BDBM50462583
PNG
(CHEMBL1234901)
Show SMILES Ic1ccc(cc1)S(=O)(=O)NCc1cn(CC(=O)N2CCC(CC2)c2nc(no2)-c2cccs2)nn1
Show InChI InChI=1S/C22H22IN7O4S2/c23-16-3-5-18(6-4-16)36(32,33)24-12-17-13-30(28-26-17)14-20(31)29-9-7-15(8-10-29)22-25-21(27-34-22)19-2-1-11-35-19/h1-6,11,13,15,24H,7-10,12,14H2
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n/an/a 580n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis EthR


J Med Chem 61: 9395-9409 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00266
BindingDB Entry DOI: 10.7270/Q2765J0C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


Assay Description
Inhibition of ELAV3 (unknown origin)-artificial ARE complex formation after 30 mins in the presence of biotin-labeled RNA probe by chemiluminescence ...


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV3 (unknown origin)-artificial ARE complex formation after 30 mins in the presence of biotin-labeled RNA probe by chemiluminescence ...


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV3 (unknown origin)-artificial ARE complex formation after 30 mins in the presence of biotin-labeled RNA probe by chemiluminescence ...


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE TNFalpha complex formation after 20 mins by liquid scintillation counting method


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
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
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE sequence of Mushashi1 transcript complex formation after 2 hrs by fluorescence polarization assay


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240685
PNG
(CHEMBL1522581)
Show SMILES CCN(CC)C(=O)CC(c1ccc(OC)cc1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H33NO6/c1-6-32(7-2)27(33)17-23(21-13-15-22(35-3)16-14-21)29-25(36-4)19-26(37-5)30-24(18-28(34)38-31(29)30)20-11-9-8-10-12-20/h8-16,18-19,23H,6-7,17H2,1-5H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE sequence of Mushashi1 transcript complex formation after 2 hrs by fluorescence polarization assay


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE sequence of Mushashi1 transcript complex formation after 2 hrs by fluorescence polarization assay


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
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
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240686
PNG
(CHEMBL4095140)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCC(=O)Nc2ccc(Cl)cc2)c1C#N
Show InChI InChI=1S/C22H16ClN5O2S/c1-30-16-8-2-13(3-9-16)20-17(10-24)21(26)28-22(18(20)11-25)31-12-19(29)27-15-6-4-14(23)5-7-15/h2-9H,12H2,1H3,(H2,26,28)(H,27,29)
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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
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240684
PNG
(CHEMBL1309685)
Show SMILES COc1cc(OC)c2c(cc(=O)oc2c1C(CC(=O)N1CCCC1)c1ccc2OCOc2c1)-c1ccccc1
Show InChI InChI=1S/C31H29NO7/c1-35-25-17-26(36-2)30-22(19-8-4-3-5-9-19)16-28(34)39-31(30)29(25)21(15-27(33)32-12-6-7-13-32)20-10-11-23-24(14-20)38-18-37-23/h3-5,8-11,14,16-17,21H,6-7,12-13,15,18H2,1-2H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE sequence of Mushashi1 transcript complex formation after 2 hrs by fluorescence polarization assay


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE sequence of Mushashi1 transcript complex formation after 2 hrs by fluorescence polarization assay


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV1 RRM1/RRM2 domains (unknown origin) interaction with ARE sequence of Mushashi1 transcript after 2 hrs by AlphaLISA method


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240685
PNG
(CHEMBL1522581)
Show SMILES CCN(CC)C(=O)CC(c1ccc(OC)cc1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
Show InChI InChI=1S/C31H33NO6/c1-6-32(7-2)27(33)17-23(21-13-15-22(35-3)16-14-21)29-25(36-4)19-26(37-5)30-24(18-28(34)38-31(29)30)20-11-9-8-10-12-20/h8-16,18-19,23H,6-7,17H2,1-5H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Inhibition of ELAV1 RRM1/RRM2 domains (unknown origin) interaction with ARE sequence of Mushashi1 transcript after 2 hrs by AlphaLISA method


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV1 RRM1/RRM2 domains (unknown origin) interaction with ARE sequence of Mushashi1 transcript after 2 hrs by AlphaLISA method


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV1 RRM1/RRM2 domains (unknown origin) interaction with ARE sequence of Mushashi1 transcript after 2 hrs by AlphaLISA method


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240684
PNG
(CHEMBL1309685)
Show SMILES COc1cc(OC)c2c(cc(=O)oc2c1C(CC(=O)N1CCCC1)c1ccc2OCOc2c1)-c1ccccc1
Show InChI InChI=1S/C31H29NO7/c1-35-25-17-26(36-2)30-22(19-8-4-3-5-9-19)16-28(34)39-31(30)29(25)21(15-27(33)32-12-6-7-13-32)20-10-11-23-24(14-20)38-18-37-23/h3-5,8-11,14,16-17,21H,6-7,12-13,15,18H2,1-2H3
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n/an/a 1.65E+4n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Inhibition of ELAV1 RRM1/RRM2 domains (unknown origin) interaction with ARE sequence of Mushashi1 transcript after 2 hrs by AlphaLISA method


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV1 RRM1/RRM2 domains (unknown origin) interaction with ARE sequence of Mushashi1 transcript after 2 hrs by AlphaLISA method


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240687
PNG
(CHEMBL4066821)
Show SMILES CO[C@H]1[C@@H](OC(=O)c2ccc[nH]2)[C@@H](O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC(C)=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |r,wU:12.13,3.3,2.1,(74.51,-50.52,;73.18,-51.28,;71.84,-50.52,;70.5,-51.28,;70.5,-52.82,;71.83,-53.6,;73.17,-52.83,;71.83,-55.14,;70.58,-56.04,;71.05,-57.51,;72.59,-57.51,;73.07,-56.05,;69.18,-50.51,;67.84,-51.27,;69.19,-48.98,;67.85,-48.2,;66.52,-48.98,;66.52,-50.52,;65.18,-51.28,;63.85,-50.52,;62.54,-51.28,;62.54,-52.83,;61.21,-50.52,;59.88,-51.29,;59.88,-52.84,;61.22,-53.6,;58.55,-53.61,;58.55,-55.16,;57.22,-55.94,;55.88,-55.16,;54.54,-55.93,;55.88,-53.62,;54.55,-52.85,;54.55,-51.31,;55.88,-50.53,;53.21,-50.54,;53.21,-48.99,;51.88,-51.31,;57.21,-52.85,;61.19,-48.98,;59.85,-48.21,;62.53,-48.21,;63.86,-48.98,;65.19,-48.21,;65.19,-46.67,;70.51,-48.19,;71.84,-48.97,;72.6,-47.63,;73.38,-48.96,)|
Show InChI InChI=1S/C35H37ClN2O11/c1-16(2)17(3)14-19-15-18(9-11-22(19)39)31(42)38-25-26(40)20-10-12-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-8-7-13-37-21/h7-13,15,27,29-30,34,37,39-41H,14H2,1-6H3,(H,38,42)/t27-,29+,30+,34?/m1/s1
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n/an/a 4.19E+4n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE sequence of c-fos complex formation by fluorescence polarization assay


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE sequence of c-fos complex formation by fluorescence polarization assay


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50240688
PNG
(CHEMBL4077803)
Show SMILES COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CCC(O)C(C)O5)c4c(O)c3C(=O)c12)C(\C)=N\O
Show InChI InChI=1S/C27H29NO10/c1-11-15(29)7-8-18(37-11)38-17-10-27(34,12(2)28-35)9-14-20(17)26(33)22-21(24(14)31)23(30)13-5-4-6-16(36-3)19(13)25(22)32/h4-6,11,15,17-18,29,31,33-35H,7-10H2,1-3H3/b28-12+
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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
BindingDB Entry DOI: 10.7270/Q2377BWD
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


Assay Description
Inhibition of ELAV1 (unknown origin)-ARE sequence of c-fos complex formation by fluorescence polarization assay


J Med Chem 60: 8257-8267 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01871
BindingDB Entry DOI: 10.7270/Q2377BWD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50044549
PNG
(CHEMBL3314093)
Show SMILES COc1cc2CCN(CCCCCCc3cnnn3CCNc3c4CCCCc4nc4ccccc34)[C@H](c3ccccc3)c2cc1OC |r|
Show InChI InChI=1S/C40H48N6O2/c1-47-37-26-30-21-24-45(40(29-14-6-5-7-15-29)34(30)27-38(37)48-2)23-13-4-3-8-16-31-28-42-44-46(31)25-22-41-39-32-17-9-11-19-35(32)43-36-20-12-10-18-33(36)39/h5-7,9,11,14-15,17,19,26-28,40H,3-4,8,10,12-13,16,18,20-25H2,1-2H3,(H,41,43)/t40-/m1/s1
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n/an/an/a 0n/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity to electric eel AChE after 24 hrs by LC/MS-SIM analysis


J Med Chem 61: 9395-9409 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00266
BindingDB Entry DOI: 10.7270/Q2765J0C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50462577
PNG
(CHEMBL4243833)
Show SMILES COc1cc2CCN(CCCCCc3cnnn3CCNc3c4CCCCc4nc4ccccc34)[C@H](c3ccccc3)c2cc1OC |r|
Show InChI InChI=1S/C39H46N6O2/c1-46-36-25-29-20-23-44(39(28-13-5-3-6-14-28)33(29)26-37(36)47-2)22-12-4-7-15-30-27-41-43-45(30)24-21-40-38-31-16-8-10-18-34(31)42-35-19-11-9-17-32(35)38/h3,5-6,8,10,13-14,16,18,25-27,39H,4,7,9,11-12,15,17,19-24H2,1-2H3,(H,40,42)/t39-/m1/s1
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n/an/an/a 0n/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of mouse AChE active site after 12 hrs by LC/MS-SIM analysis


J Med Chem 61: 9395-9409 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00266
BindingDB Entry DOI: 10.7270/Q2765J0C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50462581
PNG
(CHEMBL4246013)
Show SMILES COc1cc2CCN(CCCCCc3cnnn3CCNc3c4CCCCc4nc4ccccc34)[C@@H](c3ccccc3)c2cc1OC |r|
Show InChI InChI=1S/C39H46N6O2/c1-46-36-25-29-20-23-44(39(28-13-5-3-6-14-28)33(29)26-37(36)47-2)22-12-4-7-15-30-27-41-43-45(30)24-21-40-38-31-16-8-10-18-34(31)42-35-19-11-9-17-32(35)38/h3,5-6,8,10,13-14,16,18,25-27,39H,4,7,9,11-12,15,17,19-24H2,1-2H3,(H,40,42)/t39-/m0/s1
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n/an/an/a 0n/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of mouse AChE active site after 12 hrs by LC/MS-SIM analysis


J Med Chem 61: 9395-9409 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00266
BindingDB Entry DOI: 10.7270/Q2765J0C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50462578
PNG
(CHEMBL4239697)
Show SMILES Nc1ccc2c(c1)c(-c1ccccc1)[n+](CCCCCCn1nncc1CCNc1c3CCCCc3nc3ccccc13)c1cc(N)ccc21
Show InChI InChI=1S/C42H44N8/c43-30-18-20-33-34-21-19-31(44)27-40(34)49(42(37(33)26-30)29-12-4-3-5-13-29)24-10-1-2-11-25-50-32(28-46-48-50)22-23-45-41-35-14-6-8-16-38(35)47-39-17-9-7-15-36(39)41/h3-6,8,12-14,16,18-21,26-28,44H,1-2,7,9-11,15,17,22-25,43H2,(H,45,47)/p+1
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n/an/an/a 0n/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of mouse AChE active site after 12 hrs by LC/MS-SIM analysis


J Med Chem 61: 9395-9409 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00266
BindingDB Entry DOI: 10.7270/Q2765J0C
More data for this
Ligand-Target Pair
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