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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'vezzosi' and Initial = 's'   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307941
PNG
(CHEMBL592617 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)CC#N)cc23)c1
Show InChI InChI=1S/C17H12BrN5O/c18-11-2-1-3-12(8-11)23-17-14-9-13(22-16(24)6-7-19)4-5-15(14)20-10-21-17/h1-5,8-10H,6H2,(H,22,24)(H,20,21,23)
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n/an/a 0.170n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307940
PNG
(CHEMBL603266 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)Cn4sccc4=O)cc23)c1
Show InChI InChI=1S/C19H14BrN5O2S/c20-12-2-1-3-13(8-12)24-19-15-9-14(4-5-16(15)21-11-22-19)23-17(26)10-25-18(27)6-7-28-25/h1-9,11H,10H2,(H,23,26)(H,21,22,24)
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n/an/a 0.360n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307939
PNG
(CHEMBL599863 | N-[2-[(4-(3-Bromoanilino)quinazolin...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)CNC(=O)Oc4ccccc4)cc23)c1
Show InChI InChI=1S/C23H18BrN5O3/c24-15-5-4-6-16(11-15)29-22-19-12-17(9-10-20(19)26-14-27-22)28-21(30)13-25-23(31)32-18-7-2-1-3-8-18/h1-12,14H,13H2,(H,25,31)(H,28,30)(H,26,27,29)
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n/an/a 0.370n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307936
PNG
(CHEMBL599047 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)Cn4sc5ccccc5c4=O)cc23)c1
Show InChI InChI=1S/C23H16BrN5O2S/c24-14-4-3-5-15(10-14)28-22-18-11-16(8-9-19(18)25-13-26-22)27-21(30)12-29-23(31)17-6-1-2-7-20(17)32-29/h1-11,13H,12H2,(H,27,30)(H,25,26,28)
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n/an/a 0.850n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307935
PNG
((2R,3S)-N-(4-(3-Bromoanilino)quinazolin-6-yl)-3-(p...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)[C@@H]4O[C@H]4CN4CCCCC4)cc23)c1 |r|
Show InChI InChI=1S/C23H24BrN5O2/c24-15-5-4-6-16(11-15)27-22-18-12-17(7-8-19(18)25-14-26-22)28-23(30)21-20(31-21)13-29-9-2-1-3-10-29/h4-8,11-12,14,20-21H,1-3,9-10,13H2,(H,28,30)(H,25,26,27)/t20-,21+/m0/s1
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n/an/a 1.24n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a 1.69n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307935
PNG
((2R,3S)-N-(4-(3-Bromoanilino)quinazolin-6-yl)-3-(p...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)[C@@H]4O[C@H]4CN4CCCCC4)cc23)c1 |r|
Show InChI InChI=1S/C23H24BrN5O2/c24-15-5-4-6-16(11-15)27-22-18-12-17(7-8-19(18)25-14-26-22)28-23(30)21-20(31-21)13-29-9-2-1-3-10-29/h4-8,11-12,14,20-21H,1-3,9-10,13H2,(H,28,30)(H,25,26,27)/t20-,21+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 1 hr by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307934
PNG
(CHEMBL597200 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Fc1ccc(OCC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
Show InChI InChI=1S/C22H16BrFN4O2/c23-14-2-1-3-16(10-14)28-22-19-11-17(6-9-20(19)25-13-26-22)27-21(29)12-30-18-7-4-15(24)5-8-18/h1-11,13H,12H2,(H,27,29)(H,25,26,28)
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n/an/a 8.43n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307933
PNG
(CHEMBL604914 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)COc4ccccc4)cc23)c1
Show InChI InChI=1S/C22H17BrN4O2/c23-15-5-4-6-16(11-15)27-22-19-12-17(9-10-20(19)24-14-25-22)26-21(28)13-29-18-7-2-1-3-8-18/h1-12,14H,13H2,(H,26,28)(H,24,25,27)
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n/an/a 9.25n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514172
PNG
(CHEMBL4536072)
Show SMILES O=c1n(NCCCCCNn2sc3ccccc3c2=O)sc2ccccc12
Show InChI InChI=1S/C19H20N4O2S2/c24-18-14-8-2-4-10-16(14)26-22(18)20-12-6-1-7-13-21-23-19(25)15-9-3-5-11-17(15)27-23/h2-5,8-11,20-21H,1,6-7,12-13H2
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n/an/a 12n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a 12n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 1 hr by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514166
PNG
(CHEMBL4448448)
Show SMILES O=c1n(NCCCCCCNn2sc3ccccc3c2=O)sc2ccccc12
Show InChI InChI=1S/C20H22N4O2S2/c25-19-15-9-3-5-11-17(15)27-23(19)21-13-7-1-2-8-14-22-24-20(26)16-10-4-6-12-18(16)28-24/h3-6,9-12,21-22H,1-2,7-8,13-14H2
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n/an/a 17n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514173
PNG
(CHEMBL4463191)
Show SMILES O=c1n(NCc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C14H12N2OS/c17-14-12-8-4-5-9-13(12)18-16(14)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2
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n/an/a 20n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514167
PNG
(CHEMBL4560077)
Show SMILES O=c1n(CCc2cccc3ccccc23)sc2ccccc12
Show InChI InChI=1S/C19H15NOS/c21-19-17-10-3-4-11-18(17)22-20(19)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11H,12-13H2
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n/an/a 22n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307932
PNG
(CHEMBL597402 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Fc1c(F)c(F)c(OCC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c(F)c1F
Show InChI InChI=1S/C22H12BrF5N4O2/c23-10-2-1-3-11(6-10)32-22-13-7-12(4-5-14(13)29-9-30-22)31-15(33)8-34-21-19(27)17(25)16(24)18(26)20(21)28/h1-7,9H,8H2,(H,31,33)(H,29,30,32)
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n/an/a 23.6n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3294
PNG
(4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...)
Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
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n/an/a 30n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 1 hr by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307934
PNG
(CHEMBL597200 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Fc1ccc(OCC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
Show InChI InChI=1S/C22H16BrFN4O2/c23-14-2-1-3-16(10-14)28-22-19-11-17(6-9-20(19)25-13-26-22)27-21(29)12-30-18-7-4-15(24)5-8-18/h1-11,13H,12H2,(H,27,29)(H,25,26,28)
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n/an/a 31n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 1 hr by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50435396
PNG
(CHEMBL2391916)
Show SMILES O=c1n(CCc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C15H13NOS/c17-15-13-8-4-5-9-14(13)18-16(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
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n/an/a 34n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307935
PNG
((2R,3S)-N-(4-(3-Bromoanilino)quinazolin-6-yl)-3-(p...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)[C@@H]4O[C@H]4CN4CCCCC4)cc23)c1 |r|
Show InChI InChI=1S/C23H24BrN5O2/c24-15-5-4-6-16(11-15)27-22-18-12-17(7-8-19(18)25-14-26-22)28-23(30)21-20(31-21)13-29-9-2-1-3-10-29/h4-8,11-12,14,20-21H,1-3,9-10,13H2,(H,28,30)(H,25,26,27)/t20-,21+/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 8 hrs by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514173
PNG
(CHEMBL4463191)
Show SMILES O=c1n(NCc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C14H12N2OS/c17-14-12-8-4-5-9-13(12)18-16(14)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL C208A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514173
PNG
(CHEMBL4463191)
Show SMILES O=c1n(NCc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C14H12N2OS/c17-14-12-8-4-5-9-13(12)18-16(14)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL C201A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514170
PNG
(CHEMBL4515209)
Show SMILES O=c1n(CCc2ccc3ccccc3c2)sc2ccccc12
Show InChI InChI=1S/C19H15NOS/c21-19-17-7-3-4-8-18(17)22-20(19)12-11-14-9-10-15-5-1-2-6-16(15)13-14/h1-10,13H,11-12H2
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514182
PNG
(CHEMBL3219170)
Show SMILES O=c1n(sc2ccccc12)C1CCCCC1
Show InChI InChI=1S/C13H15NOS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50359050
PNG
(CHEMBL1922513)
Show SMILES CCCCCCCCn1sc2ccccc2c1=O
Show InChI InChI=1S/C15H21NOS/c1-2-3-4-5-6-9-12-16-15(17)13-10-7-8-11-14(13)18-16/h7-8,10-11H,2-6,9,12H2,1H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM61908
PNG
(2-methyl-1,2-benzothiazol-3-one | KUC103657N | acs...)
Show SMILES Cn1sc2ccccc2c1=O
Show InChI InChI=1S/C8H7NOS/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50435396
PNG
(CHEMBL2391916)
Show SMILES O=c1n(CCc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C15H13NOS/c17-15-13-8-4-5-9-14(13)18-16(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL C208A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307933
PNG
(CHEMBL604914 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)COc4ccccc4)cc23)c1
Show InChI InChI=1S/C22H17BrN4O2/c23-15-5-4-6-16(11-15)27-22-19-12-17(9-10-20(19)24-14-25-22)26-21(28)13-29-18-7-2-1-3-8-18/h1-12,14H,13H2,(H,26,28)(H,24,25,27)
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 1 hr by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307932
PNG
(CHEMBL597402 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Fc1c(F)c(F)c(OCC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c(F)c1F
Show InChI InChI=1S/C22H12BrF5N4O2/c23-10-2-1-3-11(6-10)32-22-13-7-12(4-5-14(13)29-9-30-22)31-15(33)8-34-21-19(27)17(25)16(24)18(26)20(21)28/h1-7,9H,8H2,(H,31,33)(H,29,30,32)
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 8 hrs by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514166
PNG
(CHEMBL4448448)
Show SMILES O=c1n(NCCCCCCNn2sc3ccccc3c2=O)sc2ccccc12
Show InChI InChI=1S/C20H22N4O2S2/c25-19-15-9-3-5-11-17(15)27-23(19)21-13-7-1-2-8-14-22-24-20(26)16-10-4-6-12-18(16)28-24/h3-6,9-12,21-22H,1-2,7-8,13-14H2
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL C208A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307932
PNG
(CHEMBL597402 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Fc1c(F)c(F)c(OCC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c(F)c1F
Show InChI InChI=1S/C22H12BrF5N4O2/c23-10-2-1-3-11(6-10)32-22-13-7-12(4-5-14(13)29-9-30-22)31-15(33)8-34-21-19(27)17(25)16(24)18(26)20(21)28/h1-7,9H,8H2,(H,31,33)(H,29,30,32)
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 1 hr by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514180
PNG
(CHEMBL4439900)
Show SMILES COC(=O)c1ccc(CNn2sc3ccccc3c2=O)cc1
Show InChI InChI=1S/C16H14N2O3S/c1-21-16(20)12-8-6-11(7-9-12)10-17-18-15(19)13-4-2-3-5-14(13)22-18/h2-9,17H,10H2,1H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514166
PNG
(CHEMBL4448448)
Show SMILES O=c1n(NCCCCCCNn2sc3ccccc3c2=O)sc2ccccc12
Show InChI InChI=1S/C20H22N4O2S2/c25-19-15-9-3-5-11-17(15)27-23(19)21-13-7-1-2-8-14-22-24-20(26)16-10-4-6-12-18(16)28-24/h3-6,9-12,21-22H,1-2,7-8,13-14H2
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL C201A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307931
PNG
(CHEMBL606403 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES CC(C)c1nsc(n1)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H17BrN6OS/c1-11(2)17-26-20(29-27-17)19(28)25-14-6-7-16-15(9-14)18(23-10-22-16)24-13-5-3-4-12(21)8-13/h3-11H,1-2H3,(H,25,28)(H,22,23,24)
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorometry


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514179
PNG
(CHEMBL4558017)
Show SMILES Oc1ccc2sn(CCc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C15H13NO2S/c17-12-6-7-14-13(10-12)15(18)16(19-14)9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 8 hrs by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514183
PNG
(CHEMBL4445264)
Show SMILES [O-][N+](=O)c1ccc2sn(CCc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C15H12N2O3S/c18-15-13-10-12(17(19)20)6-7-14(13)21-16(15)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514174
PNG
(CHEMBL4514686)
Show SMILES CN(Cc1ccccc1)n1sc2ccccc2c1=O
Show InChI InChI=1S/C15H14N2OS/c1-16(11-12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)19-17/h2-10H,11H2,1H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514171
PNG
(CHEMBL4450432)
Show SMILES O=c1n(CCCCCCN2CCCCC2)sc2ccccc12
Show InChI InChI=1S/C18H26N2OS/c21-18-16-10-4-5-11-17(16)22-20(18)15-9-2-1-6-12-19-13-7-3-8-14-19/h4-5,10-11H,1-3,6-9,12-15H2
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514172
PNG
(CHEMBL4536072)
Show SMILES O=c1n(NCCCCCNn2sc3ccccc3c2=O)sc2ccccc12
Show InChI InChI=1S/C19H20N4O2S2/c24-18-14-8-2-4-10-16(14)26-22(18)20-12-6-1-7-13-21-23-19(25)15-9-3-5-11-17(15)27-23/h2-5,8-11,20-21H,1,6-7,12-13H2
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL C208A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514172
PNG
(CHEMBL4536072)
Show SMILES O=c1n(NCCCCCNn2sc3ccccc3c2=O)sc2ccccc12
Show InChI InChI=1S/C19H20N4O2S2/c24-18-14-8-2-4-10-16(14)26-22(18)20-12-6-1-7-13-21-23-19(25)15-9-3-5-11-17(15)27-23/h2-5,8-11,20-21H,1,6-7,12-13H2
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL C201A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514178
PNG
(CHEMBL4544505)
Show SMILES [O-][N+](=O)c1ccc2c(c1)sn(CCc1ccccc1)c2=O
Show InChI InChI=1S/C15H12N2O3S/c18-15-13-7-6-12(17(19)20)10-14(13)21-16(15)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50435396
PNG
(CHEMBL2391916)
Show SMILES O=c1n(CCc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C15H13NOS/c17-15-13-8-4-5-9-14(13)18-16(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL C201A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514176
PNG
(CHEMBL4449771)
Show SMILES OC(=O)c1ccc(CNn2sc3ccccc3c2=O)cc1
Show InChI InChI=1S/C15H12N2O3S/c18-14-12-3-1-2-4-13(12)21-17(14)16-9-10-5-7-11(8-6-10)15(19)20/h1-8,16H,9H2,(H,19,20)
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307934
PNG
(CHEMBL597200 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Fc1ccc(OCC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
Show InChI InChI=1S/C22H16BrFN4O2/c23-14-2-1-3-16(10-14)28-22-19-11-17(6-9-20(19)25-13-26-22)27-21(29)12-30-18-7-4-15(24)5-8-18/h1-11,13H,12H2,(H,27,29)(H,25,26,28)
PDB
MMDB

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n/an/a 291n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 8 hrs by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307933
PNG
(CHEMBL604914 | N-(4-(3-Bromoanilino)quinazolin-6-y...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)COc4ccccc4)cc23)c1
Show InChI InChI=1S/C22H17BrN4O2/c23-15-5-4-6-16(11-15)27-22-19-12-17(9-10-20(19)24-14-25-22)26-21(28)13-29-18-7-2-1-3-8-18/h1-12,14H,13H2,(H,26,28)(H,24,25,27)
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MMDB

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n/an/a 292n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells after 8 hrs by western blot


J Med Chem 53: 2038-50 (2010)


Article DOI: 10.1021/jm901558p
BindingDB Entry DOI: 10.7270/Q2736R1N
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM46658
PNG
(1,2-benzothiazol-3-one | MLS-0254244.0001 | US9011...)
Show SMILES O=c1[nH]sc2ccccc12
Show InChI InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
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n/an/a 307n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514175
PNG
(CHEMBL4553365)
Show SMILES O=c1n(NCc2ccc(cc2)-c2ccccc2)sc2ccccc12
Show InChI InChI=1S/C20H16N2OS/c23-20-18-8-4-5-9-19(18)24-22(20)21-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-13,21H,14H2
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n/an/a 322n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514177
PNG
(CHEMBL4530292)
Show SMILES COc1ccc2c(c1)sn(CCc1ccccc1)c2=O
Show InChI InChI=1S/C16H15NO2S/c1-19-13-7-8-14-15(11-13)20-17(16(14)18)10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
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n/an/a 512n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514181
PNG
(CHEMBL4438540)
Show SMILES COc1ccc2sn(CCc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C16H15NO2S/c1-19-13-7-8-15-14(11-13)16(18)17(20-15)10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
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n/an/a 568n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50435396
PNG
(CHEMBL2391916)
Show SMILES O=c1n(CCc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C15H13NOS/c17-15-13-8-4-5-9-14(13)18-16(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
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n/an/a 605n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL C201A/C208A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins follo...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
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