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23 similar compounds to monomer 50321995

Compile data set for download or QSAR
Wt: 329.8
BDBM11004
Purchase
Wt: 333.8
BDBM11007
Wt: 329.8
BDBM11014
Purchase
Wt: 329.8
BDBM11015
Purchase
Wt: 333.8
BDBM11016
Wt: 333.8
BDBM11017
Wt: 368.2
BDBM50321996
Wt: 395.2
BDBM50321997
Wt: 366.2
BDBM50321998
Wt: 380.2
BDBM50321999
Wt: 364.2
BDBM50322000
Wt: 429.1
BDBM50322001
Wt: 384.7
BDBM50322002
Wt: 368.2
BDBM50322003
Wt: 343.8
BDBM50322005
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 11004,11007,11014,11015,11016,11017,50321996,50321997,50321998,50321999,50322000,50322001,50322002,50322003,50322005   
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
Monoamine Oxidase Type B (MAO-B)


(Bos taurus)
BDBM11014
PNG
((-)-(S)1 | (5S)-5-(4-chlorophenyl)-3-(4-methylphen...)
Show SMILES Cc1ccc(cc1)C1=NN([C@@H](C1)c1ccc(Cl)cc1)C(N)=S
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)/t16-/m0/s1
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PubMed
1 -12.8n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Bos taurus)
BDBM11004
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(N)=S
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)
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PubMed
1.5 -12.6n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Bos taurus)
BDBM11015
PNG
((+)-(R)1 | (5R)-5-(4-chlorophenyl)-3-(4-methylphen...)
Show SMILES Cc1ccc(cc1)C1=NN([C@H](C1)c1ccc(Cl)cc1)C(N)=S
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)/t16-/m1/s1
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2.70 -12.2n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine Oxidase Type A (MAO-A)


(Bos taurus)
BDBM11016
PNG
((-)-(S)4 | (5S)-5-(4-chlorophenyl)-3-(4-fluorophen...)
Show SMILES NC(=S)N1N=C(C[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C16H13ClFN3S/c17-12-5-1-11(2-6-12)15-9-14(20-21(15)16(19)22)10-3-7-13(18)8-4-10/h1-8,15H,9H2,(H2,19,22)/t15-/m0/s1
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5 -11.8n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine Oxidase Type A (MAO-A)


(Bos taurus)
BDBM11007
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C16H13ClFN3S/c17-12-5-1-11(2-6-12)15-9-14(20-21(15)16(19)22)10-3-7-13(18)8-4-10/h1-8,15H,9H2,(H2,19,22)
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6 -11.7n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine Oxidase Type A (MAO-A)


(Bos taurus)
BDBM11017
PNG
((+)-(R)4 | (5R)-5-(4-chlorophenyl)-3-(4-fluorophen...)
Show SMILES NC(=S)N1N=C(C[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C16H13ClFN3S/c17-12-5-1-11(2-6-12)15-9-14(20-21(15)16(19)22)10-3-7-13(18)8-4-10/h1-8,15H,9H2,(H2,19,22)/t15-/m1/s1
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12 -11.3n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine Oxidase Type A (MAO-A)


(Bos taurus)
BDBM11015
PNG
((+)-(R)1 | (5R)-5-(4-chlorophenyl)-3-(4-methylphen...)
Show SMILES Cc1ccc(cc1)C1=NN([C@H](C1)c1ccc(Cl)cc1)C(N)=S
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)/t16-/m1/s1
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13 -11.2n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine Oxidase Type A (MAO-A)


(Bos taurus)
BDBM11004
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(N)=S
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)
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31 -10.7n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine Oxidase Type A (MAO-A)


(Bos taurus)
BDBM11014
PNG
((-)-(S)1 | (5S)-5-(4-chlorophenyl)-3-(4-methylphen...)
Show SMILES Cc1ccc(cc1)C1=NN([C@@H](C1)c1ccc(Cl)cc1)C(N)=S
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)/t16-/m0/s1
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50 -10.4n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Bos taurus)
BDBM11007
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C16H13ClFN3S/c17-12-5-1-11(2-6-12)15-9-14(20-21(15)16(19)22)10-3-7-13(18)8-4-10/h1-8,15H,9H2,(H2,19,22)
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1.00E+3 -8.54n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Bos taurus)
BDBM11017
PNG
((+)-(R)4 | (5R)-5-(4-chlorophenyl)-3-(4-fluorophen...)
Show SMILES NC(=S)N1N=C(C[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C16H13ClFN3S/c17-12-5-1-11(2-6-12)15-9-14(20-21(15)16(19)22)10-3-7-13(18)8-4-10/h1-8,15H,9H2,(H2,19,22)/t15-/m1/s1
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1.40E+3 -8.33n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Bos taurus)
BDBM11016
PNG
((-)-(S)4 | (5S)-5-(4-chlorophenyl)-3-(4-fluorophen...)
Show SMILES NC(=S)N1N=C(C[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C16H13ClFN3S/c17-12-5-1-11(2-6-12)15-9-14(20-21(15)16(19)22)10-3-7-13(18)8-4-10/h1-8,15H,9H2,(H2,19,22)/t15-/m0/s1
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2.40E+3 -8.00n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50321998
PNG
(3-(3,4-Dichlorophenyl)-5-(4-hydroxyphenyl)-4,5-dih...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H13Cl2N3OS/c17-12-6-3-10(7-13(12)18)14-8-15(21(20-14)16(19)23)9-1-4-11(22)5-2-9/h1-7,15,22H,8H2,(H2,19,23)
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n/an/a 6.58E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr


Bioorg Med Chem 21: 1050-63 (2013)


Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50321996
PNG
(3-(3,4-Dichlorophenyl)-5-(2-fluorophenyl)-4,5-dihy...)
Show SMILES NC(=S)N1N=C(CC1c1ccccc1F)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H12Cl2FN3S/c17-11-6-5-9(7-12(11)18)14-8-15(22(21-14)16(20)23)10-3-1-2-4-13(10)19/h1-7,15H,8H2,(H2,20,23)
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n/an/a 6.56E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant EGFR autophosphorylation expressed in Sf9 cells by solid-phase ELISA


Bioorg Med Chem 18: 4606-14 (2011)


Article DOI: 10.1016/j.bmc.2010.05.034
BindingDB Entry DOI: 10.7270/Q22R3SMJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50321997
PNG
(3-(3,4-Dichlorophenyl)-5-(4-nitrophenyl)-4,5-dihyd...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H12Cl2N4O2S/c17-12-6-3-10(7-13(12)18)14-8-15(21(20-14)16(19)25)9-1-4-11(5-2-9)22(23)24/h1-7,15H,8H2,(H2,19,25)
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n/an/a 7.78E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant EGFR autophosphorylation expressed in Sf9 cells by solid-phase ELISA


Bioorg Med Chem 18: 4606-14 (2011)


Article DOI: 10.1016/j.bmc.2010.05.034
BindingDB Entry DOI: 10.7270/Q22R3SMJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50321998
PNG
(3-(3,4-Dichlorophenyl)-5-(4-hydroxyphenyl)-4,5-dih...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H13Cl2N3OS/c17-12-6-3-10(7-13(12)18)14-8-15(21(20-14)16(19)23)9-1-4-11(22)5-2-9/h1-7,15,22H,8H2,(H2,19,23)
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n/an/a 5.27E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant EGFR autophosphorylation expressed in Sf9 cells by solid-phase ELISA


Bioorg Med Chem 18: 4606-14 (2011)


Article DOI: 10.1016/j.bmc.2010.05.034
BindingDB Entry DOI: 10.7270/Q22R3SMJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50322005
PNG
(5-(2-Chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihy...)
Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1ccccc1Cl)C(N)=S
Show InChI InChI=1S/C18H18ClN3S/c1-11-7-8-13(9-12(11)2)16-10-17(22(21-16)18(20)23)14-5-3-4-6-15(14)19/h3-9,17H,10H2,1-2H3,(H2,20,23)
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n/an/a 3.87E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant EGFR autophosphorylation expressed in Sf9 cells by solid-phase ELISA


Bioorg Med Chem 18: 4606-14 (2011)


Article DOI: 10.1016/j.bmc.2010.05.034
BindingDB Entry DOI: 10.7270/Q22R3SMJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50322000
PNG
(3-(3,4-Dichlorophenyl)-5-p-tolyl-4,5-dihydro-1H-py...)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2N3S/c1-10-2-4-11(5-3-10)16-9-15(21-22(16)17(20)23)12-6-7-13(18)14(19)8-12/h2-8,16H,9H2,1H3,(H2,20,23)
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n/an/a 7.38E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant EGFR autophosphorylation expressed in Sf9 cells by solid-phase ELISA


Bioorg Med Chem 18: 4606-14 (2011)


Article DOI: 10.1016/j.bmc.2010.05.034
BindingDB Entry DOI: 10.7270/Q22R3SMJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50322001
PNG
(5-(4-Bromophenyl)-3-(3,4-dichlorophenyl)-4,5-dihyd...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H12BrCl2N3S/c17-11-4-1-9(2-5-11)15-8-14(21-22(15)16(20)23)10-3-6-12(18)13(19)7-10/h1-7,15H,8H2,(H2,20,23)
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n/an/a 6.85E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant EGFR autophosphorylation expressed in Sf9 cells by solid-phase ELISA


Bioorg Med Chem 18: 4606-14 (2011)


Article DOI: 10.1016/j.bmc.2010.05.034
BindingDB Entry DOI: 10.7270/Q22R3SMJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50322002
PNG
(5-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)-4,5-dihy...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H12Cl3N3S/c17-11-4-1-9(2-5-11)15-8-14(21-22(15)16(20)23)10-3-6-12(18)13(19)7-10/h1-7,15H,8H2,(H2,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.32E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant EGFR autophosphorylation expressed in Sf9 cells by solid-phase ELISA


Bioorg Med Chem 18: 4606-14 (2011)


Article DOI: 10.1016/j.bmc.2010.05.034
BindingDB Entry DOI: 10.7270/Q22R3SMJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50322003
PNG
(3-(3,4-Dichlorophenyl)-5-(4-fluorophenyl)-4,5-dihy...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H12Cl2FN3S/c17-12-6-3-10(7-13(12)18)14-8-15(22(21-14)16(20)23)9-1-4-11(19)5-2-9/h1-7,15H,8H2,(H2,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.27E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant EGFR autophosphorylation expressed in Sf9 cells by solid-phase ELISA


Bioorg Med Chem 18: 4606-14 (2011)


Article DOI: 10.1016/j.bmc.2010.05.034
BindingDB Entry DOI: 10.7270/Q22R3SMJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50321999
PNG
(3-(3,4-Dichlorophenyl)-5-(4-methoxyphenyl)-4,5-dih...)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2N3OS/c1-23-12-5-2-10(3-6-12)16-9-15(21-22(16)17(20)24)11-4-7-13(18)14(19)8-11/h2-8,16H,9H2,1H3,(H2,20,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.74E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant EGFR autophosphorylation expressed in Sf9 cells by solid-phase ELISA


Bioorg Med Chem 18: 4606-14 (2011)


Article DOI: 10.1016/j.bmc.2010.05.034
BindingDB Entry DOI: 10.7270/Q22R3SMJ
More data for this
Ligand-Target Pair