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22 similar compounds to monomer 50092473

Compile data set for download or QSAR
Wt: 367.4
BDBM50092460
Wt: 384.4
BDBM50092461
Wt: 384.4
BDBM50092462
Wt: 400.8
BDBM50092463
Wt: 382.4
BDBM50092465
Wt: 426.4
BDBM50092466
Wt: 344.8
BDBM50092467
Wt: 438.8
BDBM50092468
Wt: 402.3
BDBM50092470
Wt: 360.3
BDBM50092471
Wt: 325.8
BDBM50092472
Wt: 631.1
BDBM50092474
Wt: 589.4
BDBM50092475
Wt: 590.4
BDBM50092477
Wt: 639.9
BDBM50092480
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50092460,50092461,50092462,50092463,50092465,50092466,50092467,50092468,50092470,50092471,50092472,50092474,50092475,50092477,50092480   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092460
PNG
(CHEMBL3586119)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C22H17N5O/c1-13-11-18-19(12-14(13)2)25-20(24-18)15-6-8-16(9-7-15)21-26-27-22(28-21)17-5-3-4-10-23-17/h3-12H,1-2H3,(H,24,25)
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n/an/a 4.12E+3n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50092480
PNG
(CHEMBL3586175)
Show SMILES Clc1cccc(Nc2ncnc3ccc(NC(=O)[C@@H]4CCCN4C4=NC(=O)\C(S4)=C/c4ccc(Br)s4)cc23)c1
Show InChI InChI=1S/C27H20BrClN6O2S2/c28-23-9-7-18(38-23)13-22-26(37)34-27(39-22)35-10-2-5-21(35)25(36)33-17-6-8-20-19(12-17)24(31-14-30-20)32-16-4-1-3-15(29)11-16/h1,3-4,6-9,11-14,21H,2,5,10H2,(H,33,36)(H,30,31,32)/b22-13+/t21-/m0/s1
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n/an/a 3.14E+4n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR (unknown origin) assessed as inhibition of autophosphorylation after 1 hr by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 23: 3221-7 (2015)


Article DOI: 10.1016/j.bmc.2015.04.065
BindingDB Entry DOI: 10.7270/Q2DF6SXQ
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092462
PNG
(CHEMBL3586116)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccccc1F
Show InChI InChI=1S/C23H17FN4O/c1-13-11-19-20(12-14(13)2)26-21(25-19)15-7-9-16(10-8-15)22-27-28-23(29-22)17-5-3-4-6-18(17)24/h3-12H,1-2H3,(H,25,26)
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n/an/a 1.92E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092463
PNG
(CHEMBL3586115)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN4O/c1-13-11-19-20(12-14(13)2)26-21(25-19)15-7-9-16(10-8-15)22-27-28-23(29-22)17-5-3-4-6-18(17)24/h3-12H,1-2H3,(H,25,26)
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n/an/a 1.51E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092465
PNG
(CHEMBL3586113)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1cccc(O)c1
Show InChI InChI=1S/C23H18N4O2/c1-13-10-19-20(11-14(13)2)25-21(24-19)15-6-8-16(9-7-15)22-26-27-23(29-22)17-4-3-5-18(28)12-17/h3-12,28H,1-2H3,(H,24,25)
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n/an/a 8.14E+3n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092466
PNG
(CHEMBL3586112)
Show SMILES COc1ccc(cc1OC)-c1nnc(o1)-c1ccc(cc1)-c1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C25H22N4O3/c1-14-11-19-20(12-15(14)2)27-23(26-19)16-5-7-17(8-6-16)24-28-29-25(32-24)18-9-10-21(30-3)22(13-18)31-4/h5-13H,1-4H3,(H,26,27)
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n/an/a 4.61E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50092467
PNG
(CHEMBL3586137)
Show SMILES NC1=NC2CCC(CC2CS1)NC(=O)c1ccc(F)cn1
Show InChI InChI=1S/C14H17FN4OS.ClH/c15-9-1-3-12(17-6-9)13(20)18-10-2-4-11-8(5-10)7-21-14(16)19-11;/h1,3,6,8,10-11H,2,4-5,7H2,(H2,16,19)(H,18,20);1H
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n/an/a>3.00E+5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D


Bioorg Med Chem 23: 3260-8 (2015)


Article DOI: 10.1016/j.bmc.2015.04.062
BindingDB Entry DOI: 10.7270/Q2J67JNF
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50092468
PNG
(CHEMBL3586133)
Show SMILES NC1=NC2CCC(CC2CS1)OC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H17ClN2O2S.C2HF3O2/c16-11-3-1-2-9(6-11)14(19)20-12-4-5-13-10(7-12)8-21-15(17)18-13;3-2(4,5)1(6)7/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,18);(H,6,7)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D


Bioorg Med Chem 23: 3260-8 (2015)


Article DOI: 10.1016/j.bmc.2015.04.062
BindingDB Entry DOI: 10.7270/Q2J67JNF
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50092470
PNG
(CHEMBL3586131)
Show SMILES NC1=N[C@]23CC[C@@H](C[C@@H]2[C@@H](COC3)S1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H20ClN3O2S.ClH/c18-11-3-1-2-10(6-11)15(22)20-12-4-5-17-9-23-8-14(13(17)7-12)24-16(19)21-17;/h1-3,6,12-14H,4-5,7-9H2,(H2,19,21)(H,20,22);1H/t12-,13+,14+,17-;/m0./s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D


Bioorg Med Chem 23: 3260-8 (2015)


Article DOI: 10.1016/j.bmc.2015.04.062
BindingDB Entry DOI: 10.7270/Q2J67JNF
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50092471
PNG
(CHEMBL3586130)
Show SMILES NC1=NC2CCC(CC2CS1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H18ClN3OS.ClH/c16-11-3-1-2-9(6-11)14(20)18-12-4-5-13-10(7-12)8-21-15(17)19-13;/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,19)(H,18,20);1H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D


Bioorg Med Chem 23: 3260-8 (2015)


Article DOI: 10.1016/j.bmc.2015.04.062
BindingDB Entry DOI: 10.7270/Q2J67JNF
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50092472
PNG
(CHEMBL3586138)
Show SMILES NC1=NC2CCC(CC2CS1)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H19N3OS.ClH/c16-15-18-13-7-6-12(8-11(13)9-20-15)17-14(19)10-4-2-1-3-5-10;/h1-5,11-13H,6-9H2,(H2,16,18)(H,17,19);1H
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n/an/a 1.11E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human BACE2


Bioorg Med Chem 23: 3260-8 (2015)


Article DOI: 10.1016/j.bmc.2015.04.062
BindingDB Entry DOI: 10.7270/Q2J67JNF
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50092467
PNG
(CHEMBL3586137)
Show SMILES NC1=NC2CCC(CC2CS1)NC(=O)c1ccc(F)cn1
Show InChI InChI=1S/C14H17FN4OS.ClH/c15-9-1-3-12(17-6-9)13(20)18-10-2-4-11-8(5-10)7-21-14(16)19-11;/h1,3,6,8,10-11H,2,4-5,7H2,(H2,16,19)(H,18,20);1H
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n/an/a 2.63E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human BACE2


Bioorg Med Chem 23: 3260-8 (2015)


Article DOI: 10.1016/j.bmc.2015.04.062
BindingDB Entry DOI: 10.7270/Q2J67JNF
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50092468
PNG
(CHEMBL3586133)
Show SMILES NC1=NC2CCC(CC2CS1)OC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H17ClN2O2S.C2HF3O2/c16-11-3-1-2-9(6-11)14(19)20-12-4-5-13-10(7-12)8-21-15(17)18-13;3-2(4,5)1(6)7/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,18);(H,6,7)
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n/an/a 584n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human BACE2


Bioorg Med Chem 23: 3260-8 (2015)


Article DOI: 10.1016/j.bmc.2015.04.062
BindingDB Entry DOI: 10.7270/Q2J67JNF
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50092470
PNG
(CHEMBL3586131)
Show SMILES NC1=N[C@]23CC[C@@H](C[C@@H]2[C@@H](COC3)S1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H20ClN3O2S.ClH/c18-11-3-1-2-10(6-11)15(22)20-12-4-5-17-9-23-8-14(13(17)7-12)24-16(19)21-17;/h1-3,6,12-14H,4-5,7-9H2,(H2,19,21)(H,20,22);1H/t12-,13+,14+,17-;/m0./s1
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n/an/a 1.34E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human BACE2


Bioorg Med Chem 23: 3260-8 (2015)


Article DOI: 10.1016/j.bmc.2015.04.062
BindingDB Entry DOI: 10.7270/Q2J67JNF
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50092471
PNG
(CHEMBL3586130)
Show SMILES NC1=NC2CCC(CC2CS1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H18ClN3OS.ClH/c16-11-3-1-2-9(6-11)14(20)18-12-4-5-13-10(7-12)8-21-15(17)19-13;/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,19)(H,18,20);1H
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n/an/a 497n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human BACE2


Bioorg Med Chem 23: 3260-8 (2015)


Article DOI: 10.1016/j.bmc.2015.04.062
BindingDB Entry DOI: 10.7270/Q2J67JNF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50092472
PNG
(CHEMBL3586138)
Show SMILES NC1=NC2CCC(CC2CS1)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H19N3OS.ClH/c16-15-18-13-7-6-12(8-11(13)9-20-15)17-14(19)10-4-2-1-3-5-10;/h1-5,11-13H,6-9H2,(H2,16,18)(H,17,19);1H
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n/an/a 2.17E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 by mcaFRET assay


Bioorg Med Chem 23: 3260-8 (2015)


Article DOI: 10.1016/j.bmc.2015.04.062
BindingDB Entry DOI: 10.7270/Q2J67JNF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50092467
PNG
(CHEMBL3586137)
Show SMILES NC1=NC2CCC(CC2CS1)NC(=O)c1ccc(F)cn1
Show InChI InChI=1S/C14H17FN4OS.ClH/c15-9-1-3-12(17-6-9)13(20)18-10-2-4-11-8(5-10)7-21-14(16)19-11;/h1,3,6,8,10-11H,2,4-5,7H2,(H2,16,19)(H,18,20);1H
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n/an/a 3.75E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 by mcaFRET assay


Bioorg Med Chem 23: 3260-8 (2015)


Article DOI: 10.1016/j.bmc.2015.04.062
BindingDB Entry DOI: 10.7270/Q2J67JNF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50092468
PNG
(CHEMBL3586133)
Show SMILES NC1=NC2CCC(CC2CS1)OC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H17ClN2O2S.C2HF3O2/c16-11-3-1-2-9(6-11)14(19)20-12-4-5-13-10(7-12)8-21-15(17)18-13;3-2(4,5)1(6)7/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,18);(H,6,7)
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n/an/a 761n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 by mcaFRET assay


Bioorg Med Chem 23: 3260-8 (2015)


Article DOI: 10.1016/j.bmc.2015.04.062
BindingDB Entry DOI: 10.7270/Q2J67JNF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50092470
PNG
(CHEMBL3586131)
Show SMILES NC1=N[C@]23CC[C@@H](C[C@@H]2[C@@H](COC3)S1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H20ClN3O2S.ClH/c18-11-3-1-2-10(6-11)15(22)20-12-4-5-17-9-23-8-14(13(17)7-12)24-16(19)21-17;/h1-3,6,12-14H,4-5,7-9H2,(H2,19,21)(H,20,22);1H/t12-,13+,14+,17-;/m0./s1
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n/an/a 2.25E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 by mcaFRET assay


Bioorg Med Chem 23: 3260-8 (2015)


Article DOI: 10.1016/j.bmc.2015.04.062
BindingDB Entry DOI: 10.7270/Q2J67JNF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50092471
PNG
(CHEMBL3586130)
Show SMILES NC1=NC2CCC(CC2CS1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H18ClN3OS.ClH/c16-11-3-1-2-9(6-11)14(20)18-12-4-5-13-10(7-12)8-21-15(17)19-13;/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,19)(H,18,20);1H
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n/an/a 1.83E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 by mcaFRET assay


Bioorg Med Chem 23: 3260-8 (2015)


Article DOI: 10.1016/j.bmc.2015.04.062
BindingDB Entry DOI: 10.7270/Q2J67JNF
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50092472
PNG
(CHEMBL3586138)
Show SMILES NC1=NC2CCC(CC2CS1)NC(=O)c1ccccc1
Show InChI InChI=1S/C15H19N3OS.ClH/c16-15-18-13-7-6-12(8-11(13)9-20-15)17-14(19)10-4-2-1-3-5-10;/h1-5,11-13H,6-9H2,(H2,16,18)(H,17,19);1H
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n/an/a 7.97E+5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D


Bioorg Med Chem 23: 3260-8 (2015)


Article DOI: 10.1016/j.bmc.2015.04.062
BindingDB Entry DOI: 10.7270/Q2J67JNF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50092474
PNG
(CHEMBL3586189)
Show SMILES Clc1cccc(Nc2ncnc3ccc(NC(=O)[C@@H]4CCCN4C4=NC(=O)\C(S4)=C/c4ccc(cc4)-c4ccccc4)cc23)c1
Show InChI InChI=1S/C35H27ClN6O2S/c36-25-8-4-9-26(19-25)39-32-28-20-27(15-16-29(28)37-21-38-32)40-33(43)30-10-5-17-42(30)35-41-34(44)31(45-35)18-22-11-13-24(14-12-22)23-6-2-1-3-7-23/h1-4,6-9,11-16,18-21,30H,5,10,17H2,(H,40,43)(H,37,38,39)/b31-18+/t30-/m0/s1
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n/an/a 1.32E+4n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR (unknown origin) assessed as inhibition of autophosphorylation after 1 hr by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 23: 3221-7 (2015)


Article DOI: 10.1016/j.bmc.2015.04.065
BindingDB Entry DOI: 10.7270/Q2DF6SXQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50092475
PNG
(CHEMBL3586185)
Show SMILES Clc1ccc(\C=C2\SC(=NC2=O)N2CCC[C@H]2C(=O)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)cc1
Show InChI InChI=1S/C29H22Cl2N6O2S/c30-18-8-6-17(7-9-18)13-25-28(39)36-29(40-25)37-12-2-5-24(37)27(38)35-21-10-11-23-22(15-21)26(33-16-32-23)34-20-4-1-3-19(31)14-20/h1,3-4,6-11,13-16,24H,2,5,12H2,(H,35,38)(H,32,33,34)/b25-13+/t24-/m0/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR (unknown origin) assessed as inhibition of autophosphorylation after 1 hr by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 23: 3221-7 (2015)


Article DOI: 10.1016/j.bmc.2015.04.065
BindingDB Entry DOI: 10.7270/Q2DF6SXQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50092477
PNG
(CHEMBL3586178)
Show SMILES Clc1cccc(Nc2ncnc3ccc(NC(=O)[C@@H]4CCCN4C4=NC(=O)\C(S4)=C/c4cccnc4Cl)cc23)c1
Show InChI InChI=1S/C28H21Cl2N7O2S/c29-17-5-1-6-18(13-17)34-25-20-14-19(8-9-21(20)32-15-33-25)35-26(38)22-7-3-11-37(22)28-36-27(39)23(40-28)12-16-4-2-10-31-24(16)30/h1-2,4-6,8-10,12-15,22H,3,7,11H2,(H,35,38)(H,32,33,34)/b23-12+/t22-/m0/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR (unknown origin) assessed as inhibition of autophosphorylation after 1 hr by DELFIA/Time-resolved fluorometry


Bioorg Med Chem 23: 3221-7 (2015)


Article DOI: 10.1016/j.bmc.2015.04.065
BindingDB Entry DOI: 10.7270/Q2DF6SXQ
More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM50092461
PNG
(CHEMBL3586118)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H17FN4O/c1-13-11-19-20(12-14(13)2)26-21(25-19)15-3-5-16(6-4-15)22-27-28-23(29-22)17-7-9-18(24)10-8-17/h3-12H,1-2H3,(H,25,26)
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n/an/a 1.31E+4n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...


Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair