Found 312 hits of ki data for polymerid = 50003688,520 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)) | BDBM3032
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20) | PDB
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| Article
PubMed
| 0.00600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Proc Natl Acad Sci USA 104: 20523-8 (2007)
Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50238182
(CHEMBL4100860)Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(CCCO)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C27H26FN5O3/c1-3-25(35)30-20-10-11-22(36-2)21(16-20)31-24-15-18(12-13-29-24)27-26(17-6-8-19(28)9-7-17)32-23(33-27)5-4-14-34/h3,6-13,15-16,34H,1,4-5,14H2,2H3,(H,29,31)(H,30,35)(H,32,33) | PDB
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PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University T£bingen
Curated by ChEMBL
| Assay Description
Inhibition of binding of [3H][D-Ala2,D-Leu5]enkephalin to Opioid receptor delta 1 in the rat brain homogenate |
J Med Chem 60: 5613-5637 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00316
BindingDB Entry DOI: 10.7270/Q2V98BCK |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
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Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild-type EGFR (unknown origin) by high-throughput biochemical screening |
J Med Chem 57: 10176-91 (2014)
Article DOI: 10.1021/jm501578n
BindingDB Entry DOI: 10.7270/Q2XK8H5B |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) |
Bioorg Med Chem Lett 26: 534-9 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.078
BindingDB Entry DOI: 10.7270/Q2HH6MZQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
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PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system by mass... |
ACS Med Chem Lett 7: 100-4 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00428
BindingDB Entry DOI: 10.7270/Q25T3NCC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50210162
(CHEMBL3883534)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C Show InChI InChI=1S/C18H14ClFN4O2/c1-3-17(25)24-15-7-11-14(8-16(15)26-2)21-9-22-18(11)23-10-4-5-13(20)12(19)6-10/h3-9H,1H2,2H3,(H,24,25)(H,21,22,23) | PDB
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| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of PF-06422899 binding to EGFR in human A431 cells after 1 hr by gel-based ABPP assay |
Nat Rev Drug Discov 16: 424-440 (2017)
Article DOI: 10.1038/nrd.2016.266
BindingDB Entry DOI: 10.7270/Q2125VNC |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM497267
((2,6-dimethylpyridin-4- yl)(4-(7-((1R,4S)-4- hydro...)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.12,wD:3.3,16.16,(-8.93,-2.23,;-7.59,-1.46,;-6.26,-2.23,;-4.93,-1.46,;-4.93,.08,;-3.59,-2.23,;-2.26,-1.46,;-2.26,.08,;-.93,.85,;.41,.08,;1.87,.56,;2.78,-.69,;1.87,-1.94,;2.35,-3.4,;3.85,-3.72,;4.33,-5.19,;3.3,-6.33,;3.78,-7.79,;1.79,-6.01,;1.32,-4.55,;.41,-1.46,;-.93,-2.23,;2.35,2.02,;3.85,2.34,;4.33,3.81,;3.3,4.95,;1.79,4.63,;1.32,3.16,;3.78,6.41,;3.04,7.77,;5.26,6.02,;6.35,7.1,;7.84,6.71,;8.93,7.79,;8.24,5.22,;7.15,4.13,;7.55,2.64,;5.66,4.53,)| Show InChI InChI=1S/C30H42N6O2/c1-5-6-19(2)33-30-31-17-26-27(18-36(28(26)34-30)24-7-9-25(37)10-8-24)22-11-13-35(14-12-22)29(38)23-15-20(3)32-21(4)16-23/h15-19,22,24-25,37H,5-14H2,1-4H3,(H,31,33,34)/t19-,24-,25-/m0/s1 | PDB
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| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
ATP competitive inhibition of MERTK (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113534
BindingDB Entry DOI: 10.7270/Q2M90DGJ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50055499
(CHEMBL3326002)Show SMILES CCCCNc1ncc2c(nn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:12.11,wD:15.15,(-2.75,-7.06,;-1.43,-6.29,;-.1,-7.06,;1.25,-6.3,;2.58,-7.07,;3.91,-6.3,;3.91,-4.75,;5.24,-3.99,;6.57,-4.75,;8.05,-4.27,;8.96,-5.52,;8.05,-6.78,;8.53,-8.25,;10.03,-8.56,;10.5,-10.03,;9.47,-11.17,;9.94,-12.64,;7.96,-10.85,;7.49,-9.39,;6.57,-6.3,;5.24,-7.07,;8.53,-2.8,;10.04,-2.49,;10.51,-1.03,;9.49,.13,;7.98,-.2,;7.5,-1.67,;9.97,1.58,;8.48,1.99,;9.57,3.09,;11.48,1.89,;12.49,.74,;13.99,1.03,;14.49,2.48,;13.47,3.64,;11.96,3.35,)| Show InChI InChI=1S/C25H34N6O4S/c1-2-3-12-26-25-27-17-22-23(29-31(24(22)28-25)19-6-8-20(32)9-7-19)18-4-10-21(11-5-18)36(33,34)30-13-15-35-16-14-30/h4-5,10-11,17,19-20,32H,2-3,6-9,12-16H2,1H3,(H,26,27,28)/t19-,20- | PDB
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| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description
Inhibition of Mer (unknown origin) by Off-chip Mobility Shift Assay |
J Med Chem 57: 7031-41 (2014)
Article DOI: 10.1021/jm500749d
BindingDB Entry DOI: 10.7270/Q2K075XQ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613695
(CHEMBL5274166) | PDB
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| | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50238177
(CHEMBL4098072)Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C25H22FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h4-14H,1H2,2-3H3,(H,27,29)(H,28,32)(H,30,31) | PDB
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| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University T£bingen
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin incubated ... |
J Med Chem 60: 5613-5637 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00316
BindingDB Entry DOI: 10.7270/Q2V98BCK |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5447
(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
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| DrugBank
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Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Chem Biol 12: 621-37 (2005)
Article DOI: 10.1016/j.chembiol.2005.04.011
BindingDB Entry DOI: 10.7270/Q2R49RR6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469353
(CHEMBL4283353)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)| Show InChI InChI=1S/C30H44N6O/c1-4-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-16-5-15-34(3)17-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1 | PDB
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| Article
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| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50498973
(CHEMBL3734934)Show SMILES CC(C)n1c(CO)nc2cnc(Nc3ccnc(n3)N3CC[C@H](O)[C@H](F)C3)cc12 |r| Show InChI InChI=1S/C19H24FN7O2/c1-11(2)27-14-7-17(22-8-13(14)23-18(27)10-28)24-16-3-5-21-19(25-16)26-6-4-15(29)12(20)9-26/h3,5,7-8,11-12,15,28-29H,4,6,9-10H2,1-2H3,(H,21,22,24,25)/t12-,15+/m1/s1 | PDB
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| >0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human wild type EGFR using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substrate measured afte... |
J Med Chem 58: 8877-95 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01412
BindingDB Entry DOI: 10.7270/Q2833W1G |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50384584
(CHEMBL2036807 | US9744172, Compound UNC607A)Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(cc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(41.81,-28.1,;42.85,-26.96,;44.35,-27.28,;45.39,-26.14,;44.91,-24.68,;45.94,-23.54,;45.47,-22.07,;46.38,-20.82,;45.47,-19.56,;45.94,-18.1,;47.45,-17.78,;47.93,-16.32,;46.9,-15.17,;45.38,-15.5,;44.91,-16.96,;47.36,-13.71,;48.87,-13.39,;49.35,-11.94,;48.32,-10.79,;46.81,-11.11,;46.33,-12.57,;43.99,-20.04,;42.66,-19.28,;41.33,-20.05,;41.33,-21.6,;39.99,-22.36,;38.66,-21.59,;38.66,-20.05,;37.33,-19.28,;37.33,-17.74,;38.67,-16.98,;38.67,-15.44,;37.34,-14.67,;36,-15.45,;36,-16.98,;42.66,-22.37,;43.99,-21.6,;43.41,-24.35,;42.38,-25.49,)| Show InChI InChI=1S/C31H40N8/c32-26-12-8-24(9-13-26)22-39-30-28(21-35-31(36-30)34-16-4-7-23-5-2-1-3-6-23)29(37-39)25-10-14-27(15-11-25)38-19-17-33-18-20-38/h1-3,5-6,10-11,14-15,21,24,26,33H,4,7-9,12-13,16-20,22,32H2,(H,34,35,36)/t24-,26- | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation |
ACS Med Chem Lett 3: 129-134 (2012)
Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613687
(CHEMBL5285503) | PDB
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| UniChem
| | <0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613688
(CHEMBL5282716) | PDB
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KEGG
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| UniChem
| | <0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50141636
(CHEMBL3758502)Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2ccccc12)-c1cn[nH]c1 Show InChI InChI=1S/C18H17N7O/c1-18(2)14-12(9-26-18)16(22-15(21-14)10-7-19-20-8-10)23-17-11-5-3-4-6-13(11)24-25-17/h3-8H,9H2,1-2H3,(H,19,20)(H2,21,22,23,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) |
Bioorg Med Chem Lett 26: 534-9 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.078
BindingDB Entry DOI: 10.7270/Q2HH6MZQ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50384583
(CHEMBL2036806)Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(19.9,-18.03,;19.9,-19.57,;21.23,-20.34,;21.23,-21.88,;22.56,-22.65,;23.9,-21.88,;23.9,-20.34,;25.23,-19.57,;26.56,-20.33,;28.04,-19.85,;28.95,-21.11,;28.04,-22.36,;28.51,-23.83,;27.48,-24.97,;27.96,-26.43,;26.92,-27.57,;25.42,-27.25,;24.38,-28.39,;24.95,-25.78,;25.98,-24.64,;26.56,-21.88,;25.23,-22.65,;28.51,-18.39,;30.02,-18.07,;30.5,-16.61,;29.47,-15.46,;27.95,-15.79,;27.48,-17.25,;29.93,-14,;31.44,-13.68,;31.92,-12.22,;30.89,-11.08,;29.38,-11.39,;28.9,-12.86,)| Show InChI InChI=1S/C26H38N8/c1-2-3-12-29-26-30-17-23-24(20-6-10-22(11-7-20)33-15-13-28-14-16-33)32-34(25(23)31-26)18-19-4-8-21(27)9-5-19/h6-7,10-11,17,19,21,28H,2-5,8-9,12-16,18,27H2,1H3,(H,29,30,31)/t19-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation |
ACS Med Chem Lett 3: 129-134 (2012)
Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613684
(CHEMBL5280555) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613698
(CHEMBL5282384) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50141610
(CHEMBL3759096)Show SMILES Cn1nccc1-c1nc2c(COC2(C)C)c(Nc2n[nH]c3ccccc23)n1 Show InChI InChI=1S/C19H19N7O/c1-19(2)15-12(10-27-19)16(23-18(21-15)14-8-9-20-26(14)3)22-17-11-6-4-5-7-13(11)24-25-17/h4-9H,10H2,1-3H3,(H2,21,22,23,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) |
Bioorg Med Chem Lett 26: 534-9 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.078
BindingDB Entry DOI: 10.7270/Q2HH6MZQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613695
(CHEMBL5274166) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613686
(CHEMBL5276357) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613695
(CHEMBL5274166) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613699
(CHEMBL5279275) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PDB
UniChem
| PDB
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613699
(CHEMBL5279275) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PDB
UniChem
| PDB
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50384582
(CHEMBL2036805)Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(nc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(11.21,-28.56,;12.24,-27.41,;13.75,-27.74,;14.79,-26.59,;14.31,-25.14,;15.34,-24,;14.86,-22.53,;15.77,-21.28,;14.86,-20.02,;15.34,-18.56,;14.31,-17.42,;14.78,-15.96,;16.29,-15.63,;17.32,-16.78,;16.84,-18.24,;16.76,-14.17,;18.27,-13.85,;18.74,-12.39,;17.71,-11.25,;16.21,-11.56,;15.72,-13.03,;13.39,-20.5,;12.05,-19.74,;10.72,-20.51,;10.72,-22.05,;9.39,-22.82,;8.05,-22.05,;8.05,-20.51,;6.72,-19.74,;6.72,-18.2,;8.06,-17.44,;8.06,-15.9,;6.73,-15.13,;5.39,-15.9,;5.4,-17.44,;12.05,-22.82,;13.39,-22.05,;12.8,-24.81,;11.77,-25.95,)| Show InChI InChI=1S/C30H39N9/c31-25-11-8-23(9-12-25)21-39-29-26(20-35-30(36-29)33-14-4-7-22-5-2-1-3-6-22)28(37-39)24-10-13-27(34-19-24)38-17-15-32-16-18-38/h1-3,5-6,10,13,19-20,23,25,32H,4,7-9,11-12,14-18,21,31H2,(H,33,35,36)/t23-,25- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation |
ACS Med Chem Lett 3: 129-134 (2012)
Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50141902
(CHEMBL3758602)Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1 Show InChI InChI=1S/C18H16ClN7O/c1-18(2)14-11(8-27-18)16(23-15(22-14)9-6-20-21-7-9)24-17-10-4-3-5-12(19)13(10)25-26-17/h3-7H,8H2,1-2H3,(H,20,21)(H2,22,23,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) |
Bioorg Med Chem Lett 26: 534-9 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.078
BindingDB Entry DOI: 10.7270/Q2HH6MZQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50236369
((R)-1-morpholino-2-(4-(1-(thiazol-2-ylmethyl)-1H-i...)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H25N7O3S/c1-17(26(34)32-8-10-35-11-9-32)36-22-4-2-3-20-24(22)25(29-16-28-20)31-19-5-6-21-18(13-19)14-30-33(21)15-23-27-7-12-37-23/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,28,29,31)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 1799-803 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.035
BindingDB Entry DOI: 10.7270/Q23T9H0F |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50238183
(CHEMBL4071012)Show SMILES Fc1ccc(cc1)-c1nc(SCCNC(=O)C=C)[nH]c1-c1ccnc(Nc2ccccc2)c1 Show InChI InChI=1S/C25H22FN5OS/c1-2-22(32)28-14-15-33-25-30-23(17-8-10-19(26)11-9-17)24(31-25)18-12-13-27-21(16-18)29-20-6-4-3-5-7-20/h2-13,16H,1,14-15H2,(H,27,29)(H,28,32)(H,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls University T£bingen
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin incubated ... |
J Med Chem 60: 5613-5637 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00316
BindingDB Entry DOI: 10.7270/Q2V98BCK |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613699
(CHEMBL5279275) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PDB
UniChem
| PDB
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613693
(CHEMBL5281373) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PDB
UniChem
| PDB
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613698
(CHEMBL5282384) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450885
(CHEMBL4216749)Show SMILES CN(C)CCn1cc(Nc2nc(Oc3cccc(NC(=O)C=C)c3F)c3cc[nH]c3n2)cn1 Show InChI InChI=1S/C22H23FN8O2/c1-4-18(32)27-16-6-5-7-17(19(16)23)33-21-15-8-9-24-20(15)28-22(29-21)26-14-12-25-31(13-14)11-10-30(2)3/h4-9,12-13H,1,10-11H2,2-3H3,(H,27,32)(H2,24,26,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613687
(CHEMBL5285503) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613698
(CHEMBL5282384) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50112173
(CHEMBL3608429)Show SMILES CC(C)n1cnc2c(Nc3cnn(C)c3)nc(nc12)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C |r| Show InChI InChI=1S/C19H24FN9O/c1-5-15(30)24-14-9-28(8-13(14)20)19-25-17(23-12-6-22-27(4)7-12)16-18(26-19)29(10-21-16)11(2)3/h5-7,10-11,13-14H,1,8-9H2,2-4H3,(H,24,30)(H,23,25,26)/t13-,14-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50384585
(CHEMBL2036809)Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(F)cc3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(-.82,-49.25,;.22,-48.11,;1.72,-48.43,;2.76,-47.29,;2.28,-45.83,;3.31,-44.69,;2.84,-43.22,;3.75,-41.97,;2.84,-40.71,;3.31,-39.25,;4.82,-38.93,;5.3,-37.47,;4.27,-36.32,;4.74,-34.86,;2.75,-36.65,;2.28,-38.11,;1.36,-41.19,;.03,-40.43,;-1.3,-41.2,;-1.3,-42.74,;-2.64,-43.51,;-3.97,-42.74,;-3.97,-41.2,;-5.3,-40.43,;-5.3,-38.89,;-3.96,-38.13,;-3.96,-36.59,;-5.29,-35.82,;-6.63,-36.59,;-6.63,-38.13,;.03,-43.51,;1.36,-42.74,;.78,-45.5,;-.25,-46.64,)| Show InChI InChI=1S/C27H31FN6/c28-22-12-10-21(11-13-22)25-24-17-31-27(30-16-4-7-19-5-2-1-3-6-19)32-26(24)34(33-25)18-20-8-14-23(29)15-9-20/h1-3,5-6,10-13,17,20,23H,4,7-9,14-16,18,29H2,(H,30,31,32)/t20-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation |
ACS Med Chem Lett 3: 129-134 (2012)
Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613685
(CHEMBL5273791) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50384581
(CHEMBL2036804)Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(nc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(-8.83,-18.78,;-8.83,-20.32,;-7.5,-21.09,;-7.5,-22.63,;-6.17,-23.41,;-4.83,-22.64,;-4.83,-21.09,;-3.5,-20.32,;-2.17,-21.08,;-.69,-20.61,;.22,-21.86,;-.69,-23.12,;-.22,-24.58,;-1.25,-25.72,;-.77,-27.18,;-1.81,-28.32,;-3.31,-28,;-4.35,-29.14,;-3.78,-26.53,;-2.76,-25.39,;-2.17,-22.64,;-3.5,-23.41,;-.22,-19.14,;-1.25,-18.01,;-.78,-16.54,;.73,-16.22,;1.77,-17.36,;1.29,-18.82,;1.2,-14.75,;2.71,-14.44,;3.19,-12.98,;2.16,-11.83,;.65,-12.15,;.17,-13.62,)| Show InChI InChI=1S/C25H37N9/c1-2-3-10-28-25-30-16-21-23(19-6-9-22(29-15-19)33-13-11-27-12-14-33)32-34(24(21)31-25)17-18-4-7-20(26)8-5-18/h6,9,15-16,18,20,27H,2-5,7-8,10-14,17,26H2,1H3,(H,28,30,31)/t18-,20- | PDB
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation |
ACS Med Chem Lett 3: 129-134 (2012)
Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450884
(CHEMBL4211782)Show SMILES CN(C)CCn1cc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cn1 Show InChI InChI=1S/C22H24N8O2/c1-4-19(31)25-15-6-5-7-17(12-15)32-21-18-8-9-23-20(18)27-22(28-21)26-16-13-24-30(14-16)11-10-29(2)3/h4-9,12-14H,1,10-11H2,2-3H3,(H,25,31)(H2,23,26,27,28) | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450887
(CHEMBL4211367)Show SMILES Cn1cc(Nc2nc(N[C@H]3CN(C[C@@H]3F)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r| Show InChI InChI=1S/C17H18ClFN8O/c1-3-13(28)27-7-11(19)12(8-27)23-16-14-10(18)5-20-15(14)24-17(25-16)22-9-4-21-26(2)6-9/h3-6,11-12H,1,7-8H2,2H3,(H3,20,22,23,24,25)/t11-,12-/m0/s1 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
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PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR (unknown origin) |
J Med Chem 62: 10005-10025 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01732
BindingDB Entry DOI: 10.7270/Q2ZG6WHW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50221531
(6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)-4-...)Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCN1CCN(C)CC1)C#N Show InChI InChI=1S/C28H33N5O2/c1-32-10-12-33(13-11-32)9-6-14-35-27-17-24-23(16-26(27)34-2)28(21(18-29)19-30-24)31-25-15-22(25)20-7-4-3-5-8-20/h3-5,7-8,16-17,19,22,25H,6,9-15H2,1-2H3,(H,30,31)/t22-,25+/m0/s1 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tanabe Research Laboratories USA, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay |
Bioorg Med Chem Lett 17: 5978-82 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613699
(CHEMBL5279275) | PDB
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| PDB
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613692
(CHEMBL5277269) | PDB
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| | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50029668
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) |
Bioorg Med Chem Lett 26: 534-9 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.078
BindingDB Entry DOI: 10.7270/Q2HH6MZQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50498976
(CHEMBL3736183)Show SMILES CO[C@H]1CCN(C[C@H]1F)c1nccc(Nc2cc3n(C(C)C)c(C)nc3cn2)n1 |r| Show InChI InChI=1S/C20H26FN7O/c1-12(2)28-13(3)24-15-10-23-19(9-16(15)28)25-18-5-7-22-20(26-18)27-8-6-17(29-4)14(21)11-27/h5,7,9-10,12,14,17H,6,8,11H2,1-4H3,(H,22,23,25,26)/t14-,17+/m1/s1 | PDB
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| PDB
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50613699
(CHEMBL5279275) | PDB
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| PDB
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50450886
(CHEMBL4206481)Show SMILES Cn1cc(Nc2nc(N[C@@H]3CCN(C3)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r| Show InChI InChI=1S/C17H19ClN8O/c1-3-13(27)26-5-4-10(9-26)21-16-14-12(18)7-19-15(14)23-17(24-16)22-11-6-20-25(2)8-11/h3,6-8,10H,1,4-5,9H2,2H3,(H3,19,21,22,23,24)/t10-/m1/s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wuxi AppTec
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) |
J Med Chem 60: 3002-3019 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ |
More data for this
Ligand-Target Pair | |
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