Found 1090 hits of ic50 for UniProtKB: P00533 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM200809
(US9670231, 2.6)Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)NCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H31F3N6O4/c1-2-39-9-11-40(12-10-39)16-18-4-3-17(13-22(18)31(32,33)34)29(41)37-26-25-20-14-19(5-6-23(20)44-27(25)26)43-24-7-8-35-28-21(24)15-36-30(42)38-28/h3-8,13-14,25-27H,2,9-12,15-16H2,1H3,(H,37,41)(H2,35,36,38,42)/t25-,26-,27-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0760 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM200810
(US9670231, 2.7)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)NCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C30H29F3N6O4/c1-38-8-10-39(11-9-38)15-17-3-2-16(12-21(17)30(31,32)33)28(40)36-25-24-19-13-18(4-5-22(19)43-26(24)25)42-23-6-7-34-27-20(23)14-35-29(41)37-27/h2-7,12-13,24-26H,8-11,14-15H2,1H3,(H,36,40)(H2,34,35,37,41)/t24-,25-,26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0840 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM199995
(US9670231, 1.3 | US9670231, 1.34)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H30F3N5O4/c1-38-10-12-39(13-11-38)16-18-3-2-17(14-22(18)31(32,33)34)30(41)37-27-26-21-15-19(4-6-23(21)43-28(26)27)42-24-8-9-35-29-20(24)5-7-25(40)36-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,37,41)(H,35,36,40)/t26-,27-,28-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0880 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM199967
(BDBM200762 | US9670231, 1.1)Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C32H32F3N5O4/c1-2-39-11-13-40(14-12-39)17-19-4-3-18(15-23(19)32(33,34)35)31(42)38-28-27-22-16-20(5-7-24(22)44-29(27)28)43-25-9-10-36-30-21(25)6-8-26(41)37-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,38,42)(H,36,37,41)/t27-,28-,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM200795
(US9670231, 1.75)Show SMILES [#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(cc1C(F)(F)F)-[#6](=O)-[#7]-[#6@@H]-1-[#6@H]-2-[#8]-c3ccc(-[#8]-c4ccnc5-[#7]-[#6](=O)-[#6]-[#6]-c45)cc3-[#6@@H]-1-2 |r| Show InChI InChI=1S/C33H31F3N4O4/c1-2-40-13-10-18(11-14-40)15-19-3-4-20(16-24(19)33(34,35)36)32(42)39-29-28-23-17-21(5-7-25(23)44-30(28)29)43-26-9-12-37-31-22(26)6-8-27(41)38-31/h3-5,7,9,12,15-17,28-30H,2,6,8,10-11,13-14H2,1H3,(H,39,42)(H,37,38,41)/t28-,29-,30-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM200793
(US9670231, 1.74)Show SMILES CCN1CCC(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C33H33F3N4O4/c1-2-40-13-10-18(11-14-40)15-19-3-4-20(16-24(19)33(34,35)36)32(42)39-29-28-23-17-21(5-7-25(23)44-30(28)29)43-26-9-12-37-31-22(26)6-8-27(41)38-31/h3-5,7,9,12,16-18,28-30H,2,6,8,10-11,13-15H2,1H3,(H,39,42)(H,37,38,41)/t28-,29-,30-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536921
(US11896597, Compound 46)Show SMILES CCOC(=O)c1csc(n1)-n1nc(c(Cc2ccc(cc2F)S(N)(=O)=O)c1C1CC1)-c1cccc(c1)-c1ccccc1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536896
(US11896597, Compound 21)Show SMILES Cn1cc(cn1)-c1cc(ccc1F)-c1c(Cc2ccc(c(F)c2)S(N)(=O)=O)c(CC2CC2)nn1-c1nc(cs1)C(O)=O | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM200548
(US9670231, 1.51)Show SMILES CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C31H29F3N4O5/c1-38-12-9-17(10-13-38)41-24-5-2-16(14-21(24)31(32,33)34)30(40)37-27-26-20-15-18(3-6-22(20)43-28(26)27)42-23-8-11-35-29-19(23)4-7-25(39)36-29/h2-3,5-6,8,11,14-15,17,26-28H,4,7,9-10,12-13H2,1H3,(H,37,40)(H,35,36,39)/t26-,27-,28-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM200336
(US9670231, 1.12)Show SMILES FC(F)(F)c1cc(ccc1CN1CCN2CCC[C@@H]2C1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C33H32F3N5O4/c34-33(35,36)24-14-18(3-4-19(24)16-40-12-13-41-11-1-2-20(41)17-40)32(43)39-29-28-23-15-21(5-7-25(23)45-30(28)29)44-26-9-10-37-31-22(26)6-8-27(42)38-31/h3-5,7,9-10,14-15,20,28-30H,1-2,6,8,11-13,16-17H2,(H,39,43)(H,37,38,42)/t20-,28+,29+,30+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM200800
(US9670231, 2.1)Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)OCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H30F3N5O5/c1-2-38-9-11-39(12-10-38)15-18-4-3-17(13-22(18)31(32,33)34)29(40)36-26-25-20-14-19(5-6-23(20)44-27(25)26)43-24-7-8-35-28-21(24)16-42-30(41)37-28/h3-8,13-14,25-27H,2,9-12,15-16H2,1H3,(H,36,40)(H,35,37,41)/t25-,26-,27-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM495017
(US10994015, Example 313 | US10994015, Example 314)Show SMILES CC(C)n1nc(N2CC(CN3CCN(CC4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)C2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 Show InChI InChI=1S/C46H54N14O6S/c1-28(2)60-38-20-40(50-39-9-12-47-42(51-39)31-21-49-58(27-31)67(65,66)33-4-5-33)48-22-36(38)43(53-60)57-25-30(26-57)24-55-17-15-54(16-18-55)23-29-10-13-56(14-11-29)32-3-6-34-35(19-32)46(64)59(45(34)63)37-7-8-41(61)52-44(37)62/h3,6,9,12,19-22,27-30,33,37H,4-5,7-8,10-11,13-18,23-26H2,1-2H3,(H,52,61,62)(H,47,48,50,51) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY
US Patent
| Assay Description
All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A... |
US Patent US10994015 (2021)
BindingDB Entry DOI: 10.7270/Q2NS0Z1G |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536961
(US11896597, Compound 78)Show SMILES Cc1ccc(cc1)-c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(cc1)S(N)(=O)=O)-c1nc(cs1)C(O)=O | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536922
(US11896597, Compound 47)Show SMILES CCOC(=O)c1csc(n1)-n1nc(c(Cc2ccc(c(F)c2)S(N)(=O)=O)c1C1CC1)-c1ccc(F)c(c1)-c1ccc(C)cc1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM50555575
(C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...)Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
WT EGFR and EGFR [L858R/T790M] kinase assay: WT EGFR or EGFR [L858R/T790M] kinase was mixed with different concentrations of pre-diluted compounds fo... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HT2SHJ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM50555575
(C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...)Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1 | PDB
MMDB
KEGG
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| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
WT EGFR and EGFR [L858R/T790M] kinase assay: WT EGFR or EGFR [L858R/T790M] kinase was mixed with different concentrations of pre-diluted compounds fo... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HT2SHJ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM50555575
(C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...)Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
WT EGFR and EGFR [L858R/T790M] kinase assay: WT EGFR or EGFR [L858R/T790M] kinase was mixed with different concentrations of pre-diluted compounds fo... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HT2SHJ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM50555575
(C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...)Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
WT EGFR and EGFR [L858R/T790M] kinase assay: WT EGFR or EGFR [L858R/T790M] kinase was mixed with different concentrations of pre-diluted compounds fo... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HT2SHJ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM50555575
(C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...)Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
WT EGFR and EGFR [L858R/T790M] kinase assay: WT EGFR or EGFR [L858R/T790M] kinase was mixed with different concentrations of pre-diluted compounds fo... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HT2SHJ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM200218
(US9670231, 1.9)Show SMILES CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)C1 |r| Show InChI InChI=1S/C32H32F3N5O4/c1-39(2)19-10-12-40(16-19)15-18-4-3-17(13-23(18)32(33,34)35)31(42)38-28-27-22-14-20(5-7-24(22)44-29(27)28)43-25-9-11-36-30-21(25)6-8-26(41)37-30/h3-5,7,9,11,13-14,19,27-29H,6,8,10,12,15-16H2,1-2H3,(H,38,42)(H,36,37,41)/t19-,27-,28-,29-/m0/s1 | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM200501
(US9670231, 1.29)Show SMILES C[C@H]1CN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CCN1 |r| Show InChI InChI=1S/C31H30F3N5O4/c1-16-14-39(11-10-35-16)15-18-3-2-17(12-22(18)31(32,33)34)30(41)38-27-26-21-13-19(4-6-23(21)43-28(26)27)42-24-8-9-36-29-20(24)5-7-25(40)37-29/h2-4,6,8-9,12-13,16,26-28,35H,5,7,10-11,14-15H2,1H3,(H,38,41)(H,36,37,40)/t16-,26-,27-,28-/m0/s1 | PDB
MMDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM518642
(US11896597, Compound 11)Show SMILES CCc1ccc2nc(N3CCC(CC3)NCC3(C)COC3)c(cc2c1)C1=NC(C)=NC1 |c:32,t:29| | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM528566
(US11896597, Compound 12 | US11896597, Compound 37)Show SMILES COc1ccnc(c1)N1CCN(CCC2CC3(CCCC3)C(=O)O2)CC1 | PDB
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UniChem
| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536892
(US11896597, Compound 17)Show SMILES Cn1cc(cn1)-c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(cc1F)S(N)(=O)=O)-c1nc(cs1)C(O)=O | PDB
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536980
(US11896597, Compound 95)Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC(F)(F)F)nn(-c3nc(cs3)C(O)=O)c2-c2cccc(c2)-c2ccccc2)cc1 | PDB
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| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536918
(US11896597, Compound 43)Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C(F)(F)F)-c2ccc(F)c(c2)-c2cccc(F)c2)cc1 | PDB
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UniChem
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536920
(US11896597, Compound 45)Show SMILES Cc1ccc(cc1)-c1cc(ccc1F)-c1nn(-c2nc(cs2)C(O)=O)c(c1Cc1ccc(cc1)S(N)(=O)=O)C(F)(F)F | PDB
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UniChem
| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM50555575
(C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...)Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1 | PDB
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| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
WT EGFR and EGFR [L858R/T790M] kinase assay: WT EGFR or EGFR [L858R/T790M] kinase was mixed with different concentrations of pre-diluted compounds fo... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2HT2SHJ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536932
(US11896597, Compound 57)Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2ccc(F)c(c2)-c2cccc(F)c2)c(F)c1 | PDB
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| PC cid
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| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536941
(US11896597, Compound 61 | US11896597, Compound 68)Show SMILES CC(=C)C#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536943
(US11896597, Compound 63)Show SMILES CCOC(=O)c1csc(n1)-n1nc(c(Cc2ccc(c(F)c2)S(N)(=O)=O)c1CC1CC1)-c1cccc(c1)-c1ccc(C)cc1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536957
(US11896597, Compound 74)Show SMILES Cc1ccc(cc1)-c1cccc(c1)-c1c(Cc2ccc(cc2)S(N)(=O)=O)c(CC2CC2)nn1-c1nc(cs1)C(O)=O | PDB
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UniChem
| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536968
(US11896597, Compound 84)Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)nn(-c3nc(cs3)C(O)=O)c2-c2cccc(c2)-c2ccccc2)cc1F | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536923
(US11896597, Compound 48)Show SMILES CCOC(=O)c1csc(n1)-n1nc(c(Cc2ccc(c(F)c2)S(N)(=O)=O)c1C1CC1)-c1ccc(F)c(c1)-c1ccc(F)cc1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536907
(US11896597, Compound 32)Show SMILES Cc1ccc(o1)-c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM507755
(US11896597, Compound 22 | US11896597, Compound 4)Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC[C@]3(C)CCOC3)c2n1)-c1cnn(C)c1 |r| | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM528597
(US11896597, Compound 15)Show SMILES Clc1cc(ccn1)N1CCN(CCC2CC(=O)C3(C2)CCCCC3)CC1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM507755
(US11896597, Compound 22 | US11896597, Compound 4)Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC[C@]3(C)CCOC3)c2n1)-c1cnn(C)c1 |r| | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536982
(US11896597, Compound 96)Show SMILES CC(C)c1ccc(cc1)-c1cc(ccc1F)-c1c(Cc2ccc(cc2)S(N)(=O)=O)c(CC2CC2)nn1-c1nc(cs1)C(O)=O | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM200584
(US9670231, 1.55)Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)NC2C3Oc4c(cc(Oc5ccnc6NC(=O)CCc56)cc4C)C23)CC1 Show InChI InChI=1S/C33H34F3N5O4/c1-3-40-10-12-41(13-11-40)17-20-5-4-19(15-24(20)33(34,35)36)32(43)39-28-27-23-16-21(14-18(2)29(23)45-30(27)28)44-25-8-9-37-31-22(25)6-7-26(42)38-31/h4-5,8-9,14-16,27-28,30H,3,6-7,10-13,17H2,1-2H3,(H,39,43)(H,37,38,42) | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM200488
(US9670231, 1.20)Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C33H34F3N5O4/c1-40(2)20-10-13-41(14-11-20)17-19-4-3-18(15-24(19)33(34,35)36)32(43)39-29-28-23-16-21(5-7-25(23)45-30(28)29)44-26-9-12-37-31-22(26)6-8-27(42)38-31/h3-5,7,9,12,15-16,20,28-30H,6,8,10-11,13-14,17H2,1-2H3,(H,39,43)(H,37,38,42)/t28-,29-,30-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM199967
(BDBM200762 | US9670231, 1.1)Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C32H32F3N5O4/c1-2-39-11-13-40(14-12-39)17-19-4-3-18(15-23(19)32(33,34)35)31(42)38-28-27-22-16-20(5-7-24(22)44-29(27)28)43-25-9-10-36-30-21(25)6-8-26(41)37-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,38,42)(H,36,37,41)/t27-,28-,29-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM200600
(US9670231, 1.56)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)NC2C3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4C23)CC1 Show InChI InChI=1S/C31H30F3N5O4/c1-38-10-12-39(13-11-38)16-18-3-2-17(14-22(18)31(32,33)34)30(41)37-27-26-21-15-19(4-6-23(21)43-28(26)27)42-24-8-9-35-29-20(24)5-7-25(40)36-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,37,41)(H,35,36,40) | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM200490
(US9670231, 1.22)Show SMILES CN1CCN(Cc2ccc(cc2Cl)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C30H30ClN5O4/c1-35-10-12-36(13-11-35)16-18-3-2-17(14-22(18)31)30(38)34-27-26-21-15-19(4-6-23(21)40-28(26)27)39-24-8-9-32-29-20(24)5-7-25(37)33-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,34,38)(H,32,33,37)/t26-,27-,28-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM200801
(US9670231, 2.2)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)OCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C30H28F3N5O5/c1-37-8-10-38(11-9-37)14-17-3-2-16(12-21(17)30(31,32)33)28(39)35-25-24-19-13-18(4-5-22(19)43-26(24)25)42-23-6-7-34-27-20(23)15-41-29(40)36-27/h2-7,12-13,24-26H,8-11,14-15H2,1H3,(H,35,39)(H,34,36,40)/t24-,25-,26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
BeiGene, Ltd.
US Patent
| Assay Description
TBD |
US Patent US9670231 (2017)
BindingDB Entry DOI: 10.7270/Q2F18WWF |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536936
(US11896597, Compound 59)Show SMILES CN1CCC(=CC1)c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O |c:4| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536942
(US11896597, Compound 62)Show SMILES CC(C)(O)C#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536969
(US11896597, Compound 85)Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)nn(-c3nc(cs3)C(O)=O)c2-c2ccc(F)c(c2)-c2ccc(F)cc2)cc1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM536972
(US11896597, Compound 88)Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)nn(-c3nc(cs3)C(O)=O)c2-c2ccc(F)c(Br)c2)cc1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| |
J Med Chem 50: 4728-45 (2007)
BindingDB Entry DOI: 10.7270/Q2S75JMR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor [T790M,L858R]
(Homo sapiens (Human)) | BDBM414541
(US10435400, Compound Z-54)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cnc2n(C)cc(Cl)c2c1 Show InChI InChI=1S/C27H31ClN8O2/c1-7-25(37)31-21-13-22(24(38-6)14-23(21)35(4)11-10-34(2)3)33-27-29-9-8-20(32-27)17-12-18-19(28)16-36(5)26(18)30-15-17/h7-9,12-16H,1,10-11H2,2-6H3,(H,31,37)(H,29,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO. LTD.
US Patent
| Assay Description
The inhibitory effects of compounds to be tested on double mutant EGFR kinase (EGFR T790M/L858R Kinase) (Invitrogen, PV4879) and wild-type EGFR kinas... |
US Patent US10435400 (2019)
BindingDB Entry DOI: 10.7270/Q20V8G4V |
More data for this
Ligand-Target Pair | |
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