Found 508 hits with Last Name = 'peng' and Initial = 'p' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Neuraminidase
(Influenza A virus) | BDBM50484773
![PNG](/data/jpeg/tenK5048/BindingDB_50484773.png) (OSELTAMIVIR POTTASIUM CARBOXYLATE | Oseltamivir Po...)Show SMILES [K;v0+].[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O |r,c:7| Show InChI InChI=1S/C14H24N2O4.K/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17;/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19);/q;+1/p-1/t11-,12+,13+;/m0./s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Chulalongkorn University
Curated by ChEMBL
| Assay Description Inhibition of Influenza A virus H7N3 N3 neuraminidase expressed in baculovirus using 2'-(4-Methylumbelliferyl)-alpha-D-acetyl neuraminic acid as subs... |
Bioorg Med Chem 20: 2152-7 (2012)
Article DOI: 10.1016/j.bmc.2012.01.026 BindingDB Entry DOI: 10.7270/Q2KS6VDT |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza A virus) | BDBM50484774
![PNG](/data/jpeg/tenK5048/BindingDB_50484774.png) (CHEMBL1956716)Show SMILES [K;v0+].[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](-[#7])-[#6@H]-1-[#7]-[#6](=O)-[#6]=[#6])-[#6](-[#8-])=O |r,c:7| Show InChI InChI=1S/C15H24N2O4.K/c1-4-10(5-2)21-12-8-9(15(19)20)7-11(16)14(12)17-13(18)6-3;/h6,8,10-12,14H,3-5,7,16H2,1-2H3,(H,17,18)(H,19,20);/q;+1/p-1/t11-,12+,14+;/m0./s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Chulalongkorn University
Curated by ChEMBL
| Assay Description Inhibition of Influenza A virus H7N3 N3 neuraminidase expressed in baculovirus using 2'-(4-Methylumbelliferyl)-alpha-D-acetyl neuraminic acid as subs... |
Bioorg Med Chem 20: 2152-7 (2012)
Article DOI: 10.1016/j.bmc.2012.01.026 BindingDB Entry DOI: 10.7270/Q2KS6VDT |
More data for this Ligand-Target Pair | |
Non-structural protein 1
(Influenza A virus (A/turkey/Italy/8000/2002(H7N3))) | BDBM5025
![PNG](/data/jpeg/tenK0/BindingDB_5025.png) (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | 6.5 | n/a |
Chulalongkorn University
| Assay Description Practically in a microtitre plate, 90 μl of 33 mM MES pH 6.5 containing 4 mM CaCl2 were dispensed in each well, except for the first well of eac... |
J Enzyme Inhib Med Chem 27: 5-11 (2012)
Article DOI: 10.3109/14756366.2011.568415 BindingDB Entry DOI: 10.7270/Q2VT1R04 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50156468
![PNG](/data/jpeg/tenK5015/BindingDB_50156468.png) (CHEMBL3792916)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C26H33N5O3/c1-16(2)12-17(14-24(32)30-22-11-7-5-9-20(22)27)25(33)31-23(26(34)28-3)13-18-15-29-21-10-6-4-8-19(18)21/h4-11,15-17,23,29H,12-14,27H2,1-3H3,(H,28,34)(H,30,32)(H,31,33)/t17-,23+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition b... |
Bioorg Med Chem Lett 26: 2174-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.064 BindingDB Entry DOI: 10.7270/Q2MW2K1D |
More data for this Ligand-Target Pair | |
Non-structural protein 1
(Influenza A virus (A/turkey/Italy/8000/2002(H7N3))) | BDBM5025
![PNG](/data/jpeg/tenK0/BindingDB_5025.png) (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | 6.5 | 37 |
Chulalongkorn University
| Assay Description The 50% inhibitory concentration (IC50) determination was carried out by using a 96-well microtitre plate as an array of reaction vessels. In the fir... |
J Enzyme Inhib Med Chem 27: 5-11 (2012)
Article DOI: 10.3109/14756366.2011.568415 BindingDB Entry DOI: 10.7270/Q2VT1R04 |
More data for this Ligand-Target Pair | |
Neuraminidase
(Influenza A virus) | BDBM5025
![PNG](/data/jpeg/tenK0/BindingDB_5025.png) (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Chulalongkorn University
Curated by ChEMBL
| Assay Description Inhibition of Influenza A virus H7N3 N3 neuraminidase expressed in baculovirus using 2'-(4-Methylumbelliferyl)-alpha-D-acetyl neuraminic acid as subs... |
Bioorg Med Chem 20: 2152-7 (2012)
Article DOI: 10.1016/j.bmc.2012.01.026 BindingDB Entry DOI: 10.7270/Q2KS6VDT |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040437
![PNG](/data/jpeg/tenK5004/BindingDB_50040437.png) (CHEMBL3360608)Show SMILES COc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1OCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C24H22N6O4/c1-3-17-7-6-8-18(13-17)28-23-19-14-21(33-2)22(15-20(19)26-16-27-23)34-12-5-4-10-29-11-9-25-24(29)30(31)32/h1,6-9,11,13-16H,4-5,10,12H2,2H3,(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040432
![PNG](/data/jpeg/tenK5004/BindingDB_50040432.png) (CHEMBL3360603)Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C22H20ClFN6O4/c1-33-19-11-15-18(26-13-27-21(15)28-14-4-5-17(24)16(23)10-14)12-20(19)34-9-3-2-7-29-8-6-25-22(29)30(31)32/h4-6,8,10-13H,2-3,7,9H2,1H3,(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039330
![PNG](/data/jpeg/tenK5003/BindingDB_50039330.png) (CHEMBL3355877)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C24H24ClFN6O4/c1-35-21-14-20-17(23(29-15-28-20)30-16-6-7-19(26)18(25)12-16)13-22(21)36-11-5-3-2-4-9-31-10-8-27-24(31)32(33)34/h6-8,10,12-15H,2-5,9,11H2,1H3,(H,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040435
![PNG](/data/jpeg/tenK5004/BindingDB_50040435.png) (CHEMBL3360606)Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C22H20ClFN6O5/c1-33-19-11-15-18(26-13-27-21(15)28-14-2-3-17(24)16(23)10-14)12-20(19)35-9-8-34-7-6-29-5-4-25-22(29)30(31)32/h2-5,10-13H,6-9H2,1H3,(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040449
![PNG](/data/jpeg/tenK5004/BindingDB_50040449.png) (CHEMBL3360619)Show SMILES COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C23H23BrN6O4/c1-33-20-13-18-19(26-15-27-22(18)28-17-7-5-6-16(24)12-17)14-21(20)34-11-4-2-3-9-29-10-8-25-23(29)30(31)32/h5-8,10,12-15H,2-4,9,11H2,1H3,(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040448
![PNG](/data/jpeg/tenK5004/BindingDB_50040448.png) (CHEMBL3360618)Show SMILES COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C22H21BrN6O4/c1-32-19-12-17-18(25-14-26-21(17)27-16-6-4-5-15(23)11-16)13-20(19)33-10-3-2-8-28-9-7-24-22(28)29(30)31/h4-7,9,11-14H,2-3,8,10H2,1H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5447
![PNG](/data/jpeg/tenK0/BindingDB_5447.png) (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5447
![PNG](/data/jpeg/tenK0/BindingDB_5447.png) (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040438
![PNG](/data/jpeg/tenK5004/BindingDB_50040438.png) (CHEMBL3360609)Show SMILES COc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1OCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C25H24N6O4/c1-3-18-8-7-9-19(14-18)29-24-20-15-22(34-2)23(16-21(20)27-17-28-24)35-13-6-4-5-11-30-12-10-26-25(30)31(32)33/h1,7-10,12,14-17H,4-6,11,13H2,2H3,(H,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039328
![PNG](/data/jpeg/tenK5003/BindingDB_50039328.png) (CHEMBL3355875)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C22H20ClFN6O4/c1-33-19-12-18-15(21(27-13-26-18)28-14-4-5-17(24)16(23)10-14)11-20(19)34-9-3-2-7-29-8-6-25-22(29)30(31)32/h4-6,8,10-13H,2-3,7,9H2,1H3,(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039334
![PNG](/data/jpeg/tenK5003/BindingDB_50039334.png) (CHEMBL3355881)Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C25H24N6O4/c1-3-18-8-7-9-19(14-18)29-24-20-15-23(22(34-2)16-21(20)27-17-28-24)35-13-6-4-5-11-30-12-10-26-25(30)31(32)33/h1,7-10,12,14-17H,4-6,11,13H2,2H3,(H,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040447
![PNG](/data/jpeg/tenK5004/BindingDB_50040447.png) (CHEMBL3360617)Show SMILES COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C21H19BrN6O4/c1-31-18-11-16-17(24-13-25-20(16)26-15-5-2-4-14(22)10-15)12-19(18)32-9-3-7-27-8-6-23-21(27)28(29)30/h2,4-6,8,10-13H,3,7,9H2,1H3,(H,24,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039335
![PNG](/data/jpeg/tenK5003/BindingDB_50039335.png) (CHEMBL3355882)Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C26H26N6O4/c1-3-19-9-8-10-20(15-19)30-25-21-16-24(23(35-2)17-22(21)28-18-29-25)36-14-7-5-4-6-12-31-13-11-27-26(31)32(33)34/h1,8-11,13,15-18H,4-7,12,14H2,2H3,(H,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039329
![PNG](/data/jpeg/tenK5003/BindingDB_50039329.png) (CHEMBL3355876)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C23H22ClFN6O4/c1-34-20-13-19-16(22(28-14-27-19)29-15-5-6-18(25)17(24)11-15)12-21(20)35-10-4-2-3-8-30-9-7-26-23(30)31(32)33/h5-7,9,11-14H,2-4,8,10H2,1H3,(H,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040433
![PNG](/data/jpeg/tenK5004/BindingDB_50040433.png) (CHEMBL3360604)Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C23H22ClFN6O4/c1-34-20-12-16-19(27-14-28-22(16)29-15-5-6-18(25)17(24)11-15)13-21(20)35-10-4-2-3-8-30-9-7-26-23(30)31(32)33/h5-7,9,11-14H,2-4,8,10H2,1H3,(H,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039459
![PNG](/data/jpeg/tenK5003/BindingDB_50039459.png) (CHEMBL3355889)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCn1c(C)ncc1[N+]([O-])=O Show InChI InChI=1S/C23H22ClFN6O4/c1-14-26-12-22(31(32)33)30(14)7-3-4-8-35-21-10-16-19(11-20(21)34-2)27-13-28-23(16)29-15-5-6-18(25)17(24)9-15/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040441
![PNG](/data/jpeg/tenK5004/BindingDB_50040441.png) (CHEMBL3360611)Show SMILES COc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1OCCOCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C24H22N6O5/c1-3-17-5-4-6-18(13-17)28-23-19-14-21(33-2)22(15-20(19)26-16-27-23)35-12-11-34-10-9-29-8-7-25-24(29)30(31)32/h1,4-8,13-16H,9-12H2,2H3,(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50062351
![PNG](/data/jpeg/tenK5006/BindingDB_50062351.png) ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP9 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition b... |
Bioorg Med Chem Lett 26: 2174-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.064 BindingDB Entry DOI: 10.7270/Q2MW2K1D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039333
![PNG](/data/jpeg/tenK5003/BindingDB_50039333.png) (CHEMBL3355880)Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C24H22N6O4/c1-3-17-7-6-8-18(13-17)28-23-19-14-22(21(33-2)15-20(19)26-16-27-23)34-12-5-4-10-29-11-9-25-24(29)30(31)32/h1,6-9,11,13-16H,4-5,10,12H2,2H3,(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040440
![PNG](/data/jpeg/tenK5004/BindingDB_50040440.png) (CHEMBL3360610)Show SMILES COc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1OCCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C26H26N6O4/c1-3-19-9-8-10-20(15-19)30-25-21-16-23(35-2)24(17-22(21)28-18-29-25)36-14-7-5-4-6-12-31-13-11-27-26(31)32(33)34/h1,8-11,13,15-18H,4-7,12,14H2,2H3,(H,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040436
![PNG](/data/jpeg/tenK5004/BindingDB_50040436.png) (CHEMBL3360607)Show SMILES COc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1OCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C23H20N6O4/c1-3-16-6-4-7-17(12-16)27-22-18-13-20(32-2)21(14-19(18)25-15-26-22)33-11-5-9-28-10-8-24-23(28)29(30)31/h1,4,6-8,10,12-15H,5,9,11H2,2H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039331
![PNG](/data/jpeg/tenK5003/BindingDB_50039331.png) (CHEMBL3355878)Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C21H19BrN6O4/c1-31-18-12-17-16(20(25-13-24-17)26-15-5-2-4-14(22)10-15)11-19(18)32-9-3-7-27-8-6-23-21(27)28(29)30/h2,4-6,8,10-13H,3,7,9H2,1H3,(H,24,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040431
![PNG](/data/jpeg/tenK5004/BindingDB_50040431.png) (CHEMBL3360602)Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C21H18ClFN6O4/c1-32-18-10-14-17(25-12-26-20(14)27-13-3-4-16(23)15(22)9-13)11-19(18)33-8-2-6-28-7-5-24-21(28)29(30)31/h3-5,7,9-12H,2,6,8H2,1H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040450
![PNG](/data/jpeg/tenK5004/BindingDB_50040450.png) (CHEMBL3352899)Show SMILES COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C24H25BrN6O4/c1-34-21-14-19-20(27-16-28-23(19)29-18-8-6-7-17(25)13-18)15-22(21)35-12-5-3-2-4-10-30-11-9-26-24(30)31(32)33/h6-9,11,13-16H,2-5,10,12H2,1H3,(H,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040451
![PNG](/data/jpeg/tenK5004/BindingDB_50040451.png) (CHEMBL3360620)Show SMILES COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCOCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C22H21BrN6O5/c1-32-19-12-17-18(25-14-26-21(17)27-16-4-2-3-15(23)11-16)13-20(19)34-10-9-33-8-7-28-6-5-24-22(28)29(30)31/h2-6,11-14H,7-10H2,1H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039327
![PNG](/data/jpeg/tenK5003/BindingDB_50039327.png) (CHEMBL3355874)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C21H18ClFN6O4/c1-32-18-11-17-14(20(26-12-25-17)27-13-3-4-16(23)15(22)9-13)10-19(18)33-8-2-6-28-7-5-24-21(28)29(30)31/h3-5,7,9-12H,2,6,8H2,1H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50062351
![PNG](/data/jpeg/tenK5006/BindingDB_50062351.png) ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition b... |
Bioorg Med Chem Lett 26: 2174-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.064 BindingDB Entry DOI: 10.7270/Q2MW2K1D |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM313972
![PNG](/data/jpeg/tenK31/BindingDB_313972.png) (US10167299, Example 22)Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1 |r,THB:8:9:16:12.13| Show InChI InChI=1S/C27H39F2N5OS/c1-17(2)25-32-31-18(3)34(25)23-14-21-4-5-22(15-23)33(21)12-8-24(20-9-13-36-16-20)30-26(35)19-6-10-27(28,29)11-7-19/h9,13,16-17,19,21-24H,4-8,10-12,14-15H2,1-3H3,(H,30,35)/t21?,22?,23?,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.05 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES
US Patent
| Assay Description 1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ... |
US Patent US10167299 (2019)
BindingDB Entry DOI: 10.7270/Q2V126X2 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039332
![PNG](/data/jpeg/tenK5003/BindingDB_50039332.png) (CHEMBL3355879)Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C23H20N6O4/c1-3-16-6-4-7-17(12-16)27-22-18-13-21(20(32-2)14-19(18)25-15-26-22)33-11-5-9-28-10-8-24-23(28)29(30)31/h1,4,6-8,10,12-15H,5,9,11H2,2H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50039460
![PNG](/data/jpeg/tenK5003/BindingDB_50039460.png) (CHEMBL3355890)Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCn1c(C)ncc1[N+]([O-])=O Show InChI InChI=1S/C22H21BrN6O4/c1-14-24-12-21(29(30)31)28(14)7-4-8-33-20-10-17-18(11-19(20)32-2)25-13-26-22(17)27-16-6-3-5-15(23)9-16/h3,5-6,9-13H,4,7-8H2,1-2H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Eur J Med Chem 89: 826-34 (2014)
Article DOI: 10.1016/j.ejmech.2014.11.010 BindingDB Entry DOI: 10.7270/Q24F1SC5 |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM314043
![PNG](/data/jpeg/tenK31/BindingDB_314043.png) (US10167299, Example 157)Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)Cn1ncnn1)c1ccc(F)s1 |r,THB:8:9:16:12.13| Show InChI InChI=1S/C23H32FN9OS/c1-14(2)23-29-28-15(3)33(23)18-10-16-4-5-17(11-18)31(16)9-8-19(20-6-7-21(24)35-20)27-22(34)12-32-26-13-25-30-32/h6-7,13-14,16-19H,4-5,8-12H2,1-3H3,(H,27,34)/t16?,17?,18?,19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.23 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES
US Patent
| Assay Description 1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ... |
US Patent US10167299 (2019)
BindingDB Entry DOI: 10.7270/Q2V126X2 |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM314046
![PNG](/data/jpeg/tenK31/BindingDB_314046.png) (US10167299, Example 160)Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)Cc1nnn[nH]1)c1ccc(CO)s1 |r,THB:8:9:16:12.13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.34 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES
US Patent
| Assay Description 1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ... |
US Patent US10167299 (2019)
BindingDB Entry DOI: 10.7270/Q2V126X2 |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM314056
![PNG](/data/jpeg/tenK31/BindingDB_314056.png) (US10167299, Example 170)Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(OC(C)=O)s1 |r,THB:8:9:16:12.13| Show InChI InChI=1S/C29H43N5O3S/c1-18(2)28-32-31-19(3)34(28)24-16-22-10-11-23(17-24)33(22)15-14-25(26-12-13-27(38-26)37-20(4)35)30-29(36)21-8-6-5-7-9-21/h12-13,18,21-25H,5-11,14-17H2,1-4H3,(H,30,36)/t22?,23?,24?,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.38 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES
US Patent
| Assay Description 1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ... |
US Patent US10167299 (2019)
BindingDB Entry DOI: 10.7270/Q2V126X2 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50040434
![PNG](/data/jpeg/tenK5004/BindingDB_50040434.png) (CHEMBL3360605)Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCCCn1ccnc1[N+]([O-])=O Show InChI InChI=1S/C24H24ClFN6O4/c1-35-21-13-17-20(28-15-29-23(17)30-16-6-7-19(26)18(25)12-16)14-22(21)36-11-5-3-2-4-9-31-10-8-27-24(31)32(33)34/h6-8,10,12-15H,2-5,9,11H2,1H3,(H,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay |
Bioorg Med Chem 22: 6796-805 (2015)
Article DOI: 10.1016/j.bmc.2014.10.038 BindingDB Entry DOI: 10.7270/Q22J6DHQ |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM313989
![PNG](/data/jpeg/tenK31/BindingDB_313989.png) (US10167299, Example 39)Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCC1)c1ccc(F)s1 |r,THB:8:9:16:12.13| Show InChI InChI=1S/C26H38FN5OS/c1-16(2)25-30-29-17(3)32(25)21-14-19-8-9-20(15-21)31(19)13-12-22(23-10-11-24(27)34-23)28-26(33)18-6-4-5-7-18/h10-11,16,18-22H,4-9,12-15H2,1-3H3,(H,28,33)/t19?,20?,21?,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.41 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES
US Patent
| Assay Description 1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ... |
US Patent US10167299 (2019)
BindingDB Entry DOI: 10.7270/Q2V126X2 |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM314054
![PNG](/data/jpeg/tenK31/BindingDB_314054.png) (US10167299, Example 168)Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)CC#N)c1ccc(Cl)s1 |r,THB:8:9:16:12.13| Show InChI InChI=1S/C23H31ClN6OS/c1-14(2)23-28-27-15(3)30(23)18-12-16-4-5-17(13-18)29(16)11-9-19(26-22(31)8-10-25)20-6-7-21(24)32-20/h6-7,14,16-19H,4-5,8-9,11-13H2,1-3H3,(H,26,31)/t16?,17?,18?,19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.54 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES
US Patent
| Assay Description 1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ... |
US Patent US10167299 (2019)
BindingDB Entry DOI: 10.7270/Q2V126X2 |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM313993
![PNG](/data/jpeg/tenK31/BindingDB_313993.png) (US10167299, Example 65)Show SMILES CCc1ccc(s1)[C@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)NC(=O)C1CCCCC1 |r,TLB:18:16:10:12.13| Show InChI InChI=1S/C29H45N5OS/c1-5-25-13-14-27(36-25)26(30-29(35)21-9-7-6-8-10-21)15-16-33-22-11-12-23(33)18-24(17-22)34-20(4)31-32-28(34)19(2)3/h13-14,19,21-24,26H,5-12,15-18H2,1-4H3,(H,30,35)/t22?,23?,24?,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.62 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES
US Patent
| Assay Description 1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ... |
US Patent US10167299 (2019)
BindingDB Entry DOI: 10.7270/Q2V126X2 |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM314057
![PNG](/data/jpeg/tenK31/BindingDB_314057.png) (US10167299, Example 171)Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(s1)C(=O)N(C)C |r,THB:8:9:16:12.13| Show InChI InChI=1S/C30H46N6O2S/c1-19(2)28-33-32-20(3)36(28)24-17-22-11-12-23(18-24)35(22)16-15-25(31-29(37)21-9-7-6-8-10-21)26-13-14-27(39-26)30(38)34(4)5/h13-14,19,21-25H,6-12,15-18H2,1-5H3,(H,31,37)/t22?,23?,24?,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.64 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES
US Patent
| Assay Description 1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ... |
US Patent US10167299 (2019)
BindingDB Entry DOI: 10.7270/Q2V126X2 |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM314032
![PNG](/data/jpeg/tenK31/BindingDB_314032.png) (US10167299, Example 146)Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCN(CC1)S(C)(=O)=O)c1cccs1 |r,THB:8:9:16:12.13| Show InChI InChI=1S/C27H42N6O3S2/c1-18(2)26-30-29-19(3)33(26)23-16-21-7-8-22(17-23)32(21)14-11-24(25-6-5-15-37-25)28-27(34)20-9-12-31(13-10-20)38(4,35)36/h5-6,15,18,20-24H,7-14,16-17H2,1-4H3,(H,28,34)/t21?,22?,23?,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.75 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES
US Patent
| Assay Description 1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ... |
US Patent US10167299 (2019)
BindingDB Entry DOI: 10.7270/Q2V126X2 |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM314019
![PNG](/data/jpeg/tenK31/BindingDB_314019.png) (US10167299, Example 133)Show SMILES COC(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1ccc(F)s1 |r,TLB:22:21:14.20.15:17.18,13:14:21:17.18| Show InChI InChI=1S/C25H34FN5O3S/c1-15-27-21-14-29(25(33)34-3)10-9-22(21)31(15)19-12-17-4-5-18(13-19)30(17)11-8-20(28-16(2)32)23-6-7-24(26)35-23/h6-7,17-20H,4-5,8-14H2,1-3H3,(H,28,32)/t17?,18?,19?,20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.79 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES
US Patent
| Assay Description 1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ... |
US Patent US10167299 (2019)
BindingDB Entry DOI: 10.7270/Q2V126X2 |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM314048
![PNG](/data/jpeg/tenK31/BindingDB_314048.png) (US10167299, Example 162)Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)Cc1nnn[nH]1)c1ccc(Cl)s1 |r,THB:8:9:16:12.13| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.85 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES
US Patent
| Assay Description 1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ... |
US Patent US10167299 (2019)
BindingDB Entry DOI: 10.7270/Q2V126X2 |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM313955
![PNG](/data/jpeg/tenK31/BindingDB_313955.png) (Compound 3 | US10167299, Example 3)Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1CCC(F)(F)CC1)c1cccs1 |THB:8:9:16:12.13| Show InChI InChI=1S/C27H39F2N5OS/c1-17(2)25-32-31-18(3)34(25)22-15-20-6-7-21(16-22)33(20)13-10-23(24-5-4-14-36-24)30-26(35)19-8-11-27(28,29)12-9-19/h4-5,14,17,19-23H,6-13,15-16H2,1-3H3,(H,30,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.95 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES
US Patent
| Assay Description 1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ... |
US Patent US10167299 (2019)
BindingDB Entry DOI: 10.7270/Q2V126X2 |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM313994
![PNG](/data/jpeg/tenK31/BindingDB_313994.png) (US10167299, Example 66)Show SMILES CCc1ccc(s1)[C@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)NC(=O)C1CCCC1 |r,TLB:18:16:10:12.13| Show InChI InChI=1S/C28H43N5OS/c1-5-24-12-13-26(35-24)25(29-28(34)20-8-6-7-9-20)14-15-32-21-10-11-22(32)17-23(16-21)33-19(4)30-31-27(33)18(2)3/h12-13,18,20-23,25H,5-11,14-17H2,1-4H3,(H,29,34)/t21?,22?,23?,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2.02 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES
US Patent
| Assay Description 1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ... |
US Patent US10167299 (2019)
BindingDB Entry DOI: 10.7270/Q2V126X2 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50161007
![PNG](/data/jpeg/tenK5016/BindingDB_50161007.png) (CHEMBL3792940)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)Nc1cccc(N)c1 |r| Show InChI InChI=1S/C26H33N5O3/c1-16(2)11-17(13-24(32)30-20-8-6-7-19(27)14-20)25(33)31-23(26(34)28-3)12-18-15-29-22-10-5-4-9-21(18)22/h4-10,14-17,23,29H,11-13,27H2,1-3H3,(H,28,34)(H,30,32)(H,31,33)/t17-,23+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition b... |
Bioorg Med Chem Lett 26: 2174-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.064 BindingDB Entry DOI: 10.7270/Q2MW2K1D |
More data for this Ligand-Target Pair | |