Found 734 hits with Last Name = 'jang' and Initial = 'j' 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 |
|---|
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600258
(CHEMBL5201543)Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2CN(C(C(=O)Nc3nccs3)c3cc(F)ccc3O)C(=O)c2c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600282
(CHEMBL5196360)Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2ncn(C(C(=O)Nc3nccs3)c3ccccc3)c(=O)c2c1F | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600274
(CHEMBL5206902)Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2ncn(C(C(=O)Nc3nccs3)c3ccccc3)c(=O)c2c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600259
(CHEMBL5182553)Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2CN(C(C(=O)Nc3nccs3)c3cccc(F)c3)C(=O)c2c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM420296
(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)Show SMILES O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PDB
UniChem
| Article
PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600257
(CHEMBL5191510)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2CN(C(C(=O)Nc3nccs3)c3cc(F)ccc3O)C(=O)c2c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50518965
(CHEMBL4443062)Show SMILES Oc1ccc(F)cc1C(N1Cc2ccc(cc2C1=O)-c1ccc(cc1)N1CCNCC1)C(=O)Nc1nccs1 Show InChI InChI=1S/C29H26FN5O3S/c30-21-5-8-25(36)24(16-21)26(27(37)33-29-32-11-14-39-29)35-17-20-2-1-19(15-23(20)28(35)38)18-3-6-22(7-4-18)34-12-9-31-10-13-34/h1-8,11,14-16,26,31,36H,9-10,12-13,17H2,(H,32,33,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cathepsin B
(Homo sapiens (Human)) | BDBM509972
(Advanced SARS-CoV-2 Inhibitor 6e | acs.jmedchem.1c...)Show SMILES CCCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |wU:22.22,24.24,wD:14.14,(-2.6,-5.27,;-1.26,-6.04,;.07,-5.27,;1.41,-6.04,;2.74,-5.27,;2.74,-3.73,;4.07,-2.96,;5.41,-3.73,;5.41,-5.27,;4.07,-6.04,;6.73,-2.93,;8.07,-3.67,;8.1,-5.21,;9.39,-2.88,;10.74,-3.62,;10.77,-5.16,;12.12,-5.91,;12.15,-7.45,;13.44,-5.11,;12.06,-2.83,;12.03,-1.29,;13.41,-3.57,;14.73,-2.78,;14.7,-1.24,;16.01,-.44,;17.41,-1.09,;18.46,.03,;17.72,1.38,;16.2,1.09,;15.08,2.14,;16.07,-3.52,;16.1,-5.06,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM509973
(Advanced SARS-CoV-2 Inhibitor 6j | acs.jmedchem.1c...)Show SMILES CC(C)C[C@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM448319
(GC-376 | GC376)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S([O-])(=O)=O Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/p-1/t15?,16-,17-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600281
(CHEMBL5177272)Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1cc(F)c2ncn(C(C(=O)Nc3nccs3)c3ccccc3)c(=O)c2c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600279
(CHEMBL5191674)Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2ncn(C(C(=O)Nc3nccs3)c3ccccc3)c(=O)c2n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600273
(CHEMBL5172573)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2ncn(C(C(=O)Nc3nccs3)c3ccccc3)c(=O)c2c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50344779
((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)Show SMILES CC(C)(C)OC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H26F3N3O3/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Dong-A Pharm. Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay |
Bioorg Med Chem Lett 21: 3809-12 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600261
(CHEMBL5198812)Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2CN(C(C(=O)Nc3nccs3)c3ccccc3)C(=O)c2c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600260
(CHEMBL5177306)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2CN(C(C(=O)Nc3nccs3)c3ccccc3)C(=O)c2c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM448319
(GC-376 | GC376)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S([O-])(=O)=O Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/p-1/t15?,16-,17-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600263
(CHEMBL5202129)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2C(=O)N(CCc2c1)C(C(=O)Nc1nccs1)c1cccc(F)c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM429100
(MPI8 | jm5b01461, Compound 45)Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24-,25-,26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600268
(CHEMBL5197154)Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2c(ccn(C(C(=O)Nc3nccs3)c3ccccc3)c2=O)c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50344783
((S)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)Show SMILES CC(C)(C)SC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H26F3N3O2S/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Dong-A Pharm. Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay |
Bioorg Med Chem Lett 21: 3809-12 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600283
(CHEMBL5178571)Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1cc2c(cc1F)ncn(C(C(=O)Nc1nccs1)c1ccccc1)c2=O | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50344777
((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)Show SMILES N[C@@H](CC(=O)N1CCNC(=O)[C@H]1COC1CCCC1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H26F3N3O3/c21-15-10-17(23)16(22)8-12(15)7-13(24)9-19(27)26-6-5-25-20(28)18(26)11-29-14-3-1-2-4-14/h8,10,13-14,18H,1-7,9,11,24H2,(H,25,28)/t13-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Dong-A Pharm. Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay |
Bioorg Med Chem Lett 21: 3809-12 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600262
(CHEMBL5176460)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2CN(C(C(=O)Nc3nccs3)c3cccc(F)c3)C(=O)c2c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600270
(CHEMBL5173701)Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2ccn(C(C(=O)Nc3nccs3)c3ccccc3)c(=O)c2c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600280
(CHEMBL5207108)Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1cnc2ncn(C(C(=O)Nc3nccs3)c3ccccc3)c(=O)c2c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Fer
(Homo sapiens (Human)) | BDBM50520589
(CHEMBL4473365)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST/His-tagged human FER catalytic domain expressed in baculovirus expression system by Z-LYTE assay |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50529378
(CHEMBL4452106)Show SMILES Oc1ccc(F)cc1[C@@H](N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25)/t16-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal GST-tagged EGFR double T790M/L858R mutant (696 to 1022 residues) expressed in Sf21 insect cells by HTRF assay |
ACS Med Chem Lett 10: 1549-1553 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00381
BindingDB Entry DOI: 10.7270/Q2XK8K0X |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50520585
(CHEMBL4581316)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(I)c(Nc2ccccc2P(C)(C)=O)n1 Show InChI InChI=1S/C27H35IN7O3P/c1-8-25(36)30-20-15-21(23(38-5)16-22(20)35(4)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)39(6,7)37/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,36)(H2,29,31,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50520589
(CHEMBL4473365)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length His-tagged human BTK cytoplasmic domain expressed in baculovirus expression system by Z-LYTE assay |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50520588
(CHEMBL4449391)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1 Show InChI InChI=1S/C27H35ClN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50520596
(CHEMBL4558227)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2P(C)(C)=O)n1 Show InChI InChI=1S/C27H35FN7O3P/c1-8-25(36)30-20-15-21(23(38-5)16-22(20)35(4)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)39(6,7)37/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,36)(H2,29,31,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50520584
(CHEMBL4448107)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36FN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50520584
(CHEMBL4448107)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36FN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system us... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50520595
(CHEMBL4565984)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2S(=O)(=O)N(C)C)n1 Show InChI InChI=1S/C27H35FN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50520593
(CHEMBL4520341)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Show InChI InChI=1S/C27H35ClN7O3P/c1-8-25(36)30-20-15-21(23(38-5)16-22(20)35(4)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)39(6,7)37/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,36)(H2,29,31,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50520589
(CHEMBL4473365)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS
(Homo sapiens (Human)) | BDBM50520589
(CHEMBL4473365)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged human ROS1 cytoplasmic domain expressed in baculovirus expression system by Z-LYTE assay |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50344778
((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)Show SMILES CC(C)OC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C18H24F3N3O3/c1-10(2)27-9-16-18(26)23-3-4-24(16)17(25)7-12(22)5-11-6-14(20)15(21)8-13(11)19/h6,8,10,12,16H,3-5,7,9,22H2,1-2H3,(H,23,26)/t12-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Dong-A Pharm. Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay |
Bioorg Med Chem Lett 21: 3809-12 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600264
(CHEMBL5200637)Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2C(=O)N(CCc2c1)C(C(=O)Nc1nccs1)c1cccc(F)c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM50520589
(CHEMBL4473365)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal GST-tagged human ErbB4 cytoplasmic domain expressed in baculovirus expression system by Z-LYTE assay |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50520595
(CHEMBL4565984)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2S(=O)(=O)N(C)C)n1 Show InChI InChI=1S/C27H35FN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system us... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50520591
(CHEMBL4467561)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(I)c(Nc2ccccc2S(=O)(=O)N(C)C)n1 Show InChI InChI=1S/C27H35IN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600271
(CHEMBL5204970)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2c(c1)ncn(C(C(=O)Nc1nccs1)c1ccccc1)c2=O | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600266
(CHEMBL5195912)Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2CCN(C(C(=O)Nc3nccs3)c3cccc(F)c3)C(=O)c2c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453891
(CHEMBL4214567)Show SMILES Oc1ccc(F)cc1C(N1Cc2ccccc2C1=O)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600267
(CHEMBL5178865)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2c(ccn(C(C(=O)Nc3nccs3)c3ccccc3)c2=O)c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50600278
(CHEMBL5178754)Show SMILES CN1CCC(CC1)c1ccc(cc1)-c1ccc2cnn(C(C(=O)Nc3nccs3)c3ccccc3)c(=O)c2c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128718
BindingDB Entry DOI: 10.7270/Q2WQ07V1 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50520589
(CHEMBL4473365)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system us... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50520587
(CHEMBL4540442)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(Nc2ccccc2S(=O)(=O)N(C)C)n1 Show InChI InChI=1S/C27H36N8O4S/c1-8-26(36)30-20-17-21(23(39-7)18-22(20)35(6)16-15-33(2)3)31-27-28-14-13-25(32-27)29-19-11-9-10-12-24(19)40(37,38)34(4)5/h8-14,17-18H,1,15-16H2,2-7H3,(H,30,36)(H2,28,29,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ... |
Eur J Med Chem 136: 497-510 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG |
More data for this
Ligand-Target Pair | |
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