Found 93 hits with Last Name = 'noolvi' and Initial = 'm' 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)) | BDBM561454
(US11390625, Compound 34 | US11390625, Example 34)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM538135
(US11253516, Example 37)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(N)(=O)=O)n1)N1CCC(CC1)N1CCN(C)CC1 | 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: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM538108
(US11253516, Example 10)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCC(CC1)N1CCN(C)CC1 | 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: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM561455
(US11390625, Compound 41 | US11390625, Example 41)Show SMILES CCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(CC1)N1CCN(C)CC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.212 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM561454
(US11390625, Compound 34 | US11390625, Example 34)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.218 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM561455
(US11390625, Compound 41 | US11390625, Example 41)Show SMILES CCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(CC1)N1CCN(C)CC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
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 | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM538120
(US11253516, Example 22)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCC(CC1)N1CCN(CCO)CC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50461172
(CHEMBL4228518)Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4ccc(F)cc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C26H29FN6O2S/c1-32(2)13-16-35-21-7-5-19(6-8-21)29-25-28-17-23-24(31-25)33(20-11-14-34-15-12-20)26(30-23)36-22-9-3-18(27)4-10-22/h3-10,17,20H,11-16H2,1-2H3,(H,28,29,31) | 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: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50525411
(CHEMBL4443483)Show SMILES COc1cc2c(Nc3ccc(NC(=O)C(N4Cc5ccccc5C4=O)c4cc(F)ccc4F)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C38H35F3N6O4/c1-46-13-11-22(12-14-46)20-51-34-18-32-28(17-33(34)50-2)36(43-21-42-32)45-31-10-8-25(16-30(31)41)44-37(48)35(27-15-24(39)7-9-29(27)40)47-19-23-5-3-4-6-26(23)38(47)49/h3-10,15-18,21-22,35H,11-14,19-20H2,1-2H3,(H,44,48)(H,42,43,45) | 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: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM538135
(US11253516, Example 37)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(N)(=O)=O)n1)N1CCC(CC1)N1CCN(C)CC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
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 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50599332
(CHEMBL5190204)Show SMILES CCC1CCN(CC1)c1ccc(cc1)-c1cc2C(=O)N(Cc2c(F)c1)C(C(=O)Nc1nccs1)c1ncn2CCCc12 | 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: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50593213
(CHEMBL5180839)Show SMILES OCC1CCN(Cc2ccc(cc2)C#Cc2cc3C(=O)N(Cc3c(F)c2)C(C(=O)Nc2nccs2)c2ncn3CCCc23)CC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM561455
(US11390625, Compound 41 | US11390625, Example 41)Show SMILES CCc1cc(Nc2ncc(Br)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)c(OC)cc1N1CCC(CC1)N1CCN(C)CC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50238191
(CHEMBL4090686)Show SMILES CCC(=O)Nc1ccc(OC)c(Nc2cc(ccn2)-c2[nH]c(CCCO)nc2-c2ccc(F)cc2)c1 Show InChI InChI=1S/C27H28FN5O3/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/h6-13,15-16,34H,3-5,14H2,1-2H3,(H,29,31)(H,30,35)(H,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50266911
(CHEMBL4061829)Show SMILES OCCc1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H19FN4O/c25-17-8-6-16(7-9-17)22-23(29-21(28-22)11-13-30)18-10-12-26-24-19(18)14-20(27-24)15-4-2-1-3-5-15/h1-10,12,14,30H,11,13H2,(H,26,27)(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM561454
(US11390625, Compound 34 | US11390625, Example 34)Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50547258
(CHEMBL4753389)Show SMILES CC(C)COc1ncnc2[nH]c(c(-c3cccc(NC(=O)C=C)c3)c12)-c1ccc(cc1)N1CCN(C)CC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50547257
(CHEMBL4799276)Show SMILES CC(C)Oc1ncnc2[nH]c(c(-c3cccc(NC(=O)C=C)c3)c12)-c1ccc(cc1)N1CCN(C)CC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50266912
(CHEMBL4089892)Show SMILES OCCCCc1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H23FN4O/c27-19-11-9-18(10-12-19)24-25(31-23(30-24)8-4-5-15-32)20-13-14-28-26-21(20)16-22(29-26)17-6-2-1-3-7-17/h1-3,6-7,9-14,16,32H,4-5,8,15H2,(H,28,29)(H,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50599330
(CHEMBL5205022)Show SMILES CCCCOc1ncnc2[nH]c(c(-c3cccc(NC(=O)C=C)c3)c12)-c1ccc(cc1)N1CCN(C)CC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50238181
(CHEMBL4071368)Show SMILES CSc1nc(c([nH]1)-c1ccnc(Nc2cc(NC(=O)C=C)cc(c2)N2CCN(C)CC2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H30FN7OS/c1-4-26(38)33-23-16-22(17-24(18-23)37-13-11-36(2)12-14-37)32-25-15-20(9-10-31-25)28-27(34-29(35-28)39-3)19-5-7-21(30)8-6-19/h4-10,15-18H,1,11-14H2,2-3H3,(H,31,32)(H,33,38)(H,34,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM525451
(US11174245, # I-036)Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(5.75,-2.98,;5.75,-1.44,;4.5,-.53,;4.98,.93,;6.52,.93,;6.99,-.53,;4.21,2.26,;2.67,2.26,;1.9,3.6,;2.67,4.93,;4.21,4.93,;4.98,3.6,;.36,3.6,;-.41,4.93,;-.41,2.26,;-1.95,2.26,;-2.86,3.51,;-4.32,3.03,;-5.66,3.8,;-6.99,3.03,;-6.99,1.49,;-5.66,.72,;-4.32,1.49,;-2.86,1.02,;-2.46,-.47,;-.97,-.87,;-.57,-2.36,;-1.66,-3.44,;-1.27,-4.93,;-3.15,-3.05,;-3.55,-1.56,)| | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50529377
(CHEMBL4558528 | US11584746, Compound I-20)Show SMILES CN1CCN(CC1)c1ccc(Oc2ccc3Nc4ccc(F)cc4N(Cc4ccccc4)C(=O)c3c2)cc1 Show InChI InChI=1S/C31H29FN4O2/c1-34-15-17-35(18-16-34)24-8-10-25(11-9-24)38-26-12-14-28-27(20-26)31(37)36(21-22-5-3-2-4-6-22)30-19-23(32)7-13-29(30)33-28/h2-14,19-20,33H,15-18,21H2,1H3 | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50599338
(CHEMBL5193027)Show SMILES O=C(Nc1nccs1)C(N1Cc2ccc(cc2C1=O)-c1ccc2[nH]ccc2c1)c1ccccc1 | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50544089
(CHEMBL4649261)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(CCCO)c2ccccc12)N(C)CCN(C)C Show InChI InChI=1S/C27H34N6O2/c1-31(2)15-16-32(3)20-10-11-24(26(18-20)35-4)30-27-28-13-12-23(29-27)22-19-33(14-7-17-34)25-9-6-5-8-21(22)25/h5-6,8-13,18-19,34H,7,14-17H2,1-4H3,(H,28,29,30) | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453890
(CHEMBL4218431)Show InChI InChI=1S/C20H14N6O/c21-10-13-5-6-18(27)16(9-13)20-25-17-4-2-1-3-15(17)19(26-20)24-12-14-11-22-7-8-23-14/h1-9,11,27H,12H2,(H,24,25,26) | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50559062
(CHEMBL4795878)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n([C@H]4CCN(C4)S(=O)(=O)C4CC4)c3n2)cc1 |r| | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50599331
(CHEMBL5206817)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1[nH]c2ncnc(OC3CCCC3)c2c1-c1cccc(NC(=O)C=C)c1 | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50529380
(CHEMBL4533337 | US11584746, Compound I-1)Show SMILES Fc1ccc2Nc3ccc(cc3C(=O)N(Cc3ccccc3)c2c1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C30H27FN4O/c31-24-9-13-28-29(19-24)35(20-21-4-2-1-3-5-21)30(36)26-18-23(8-12-27(26)33-28)22-6-10-25(11-7-22)34-16-14-32-15-17-34/h1-13,18-19,32-33H,14-17,20H2 | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50266907
(CHEMBL4101719)Show SMILES OCCCc1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H21FN4O/c26-18-10-8-17(9-11-18)23-24(30-22(29-23)7-4-14-31)19-12-13-27-25-20(19)15-21(28-25)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,31H,4,7,14H2,(H,27,28)(H,29,30) | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50599328
(CHEMBL4744973)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccc(F)cc4)n([C@H]4CCN(C4)S(=O)(=O)C4CC4)c3n2)cc1 |r| | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453889
(CHEMBL4207984)Show InChI InChI=1S/C21H15N5O/c22-11-14-7-8-19(27)17(10-14)21-25-18-6-2-1-5-16(18)20(26-21)24-13-15-4-3-9-23-12-15/h1-10,12,27H,13H2,(H,24,25,26) | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50529379
(CHEMBL4530686 | US11584746, Compound I-21)Show SMILES Fc1ccc2Nc3ccc(Oc4ccc(cc4)N4CCNCC4)cc3C(=O)N(Cc3ccccc3)c2c1 Show InChI InChI=1S/C30H27FN4O2/c31-22-6-12-28-29(18-22)35(20-21-4-2-1-3-5-21)30(36)26-19-25(11-13-27(26)33-28)37-24-9-7-23(8-10-24)34-16-14-32-15-17-34/h1-13,18-19,32-33H,14-17,20H2 | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50468244
(CHEMBL4284413)Show InChI InChI=1S/C19H15N3O2S/c23-17(21-19-20-10-11-25-19)16(13-6-2-1-3-7-13)22-12-14-8-4-5-9-15(14)18(22)24/h1-11,16H,12H2,(H,20,21,23) | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50599325
(CHEMBL5206600)Show SMILES CCC(=O)N1CCC[C@H](C1)N1CC(=C(C)c2cnc(Nc3ccc(N4CCN(C)CC4)c(C)c3)nc12)c1cccc(F)c1Cl |r,t:13| | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50599335
(CHEMBL5194245)Show SMILES CCC(=O)N[C@H]1CC[C@@H](CC1)n1c2cc(Nc3ccc(N4CCN(C)CC4)c(C)c3)ccc2cc(-c2ccccc2Cl)c1=O |r,wU:5.4,wD:8.11,(4,-6.54,;2.66,-5.77,;2.66,-4.23,;4,-3.46,;1.33,-3.46,;1.33,-1.92,;-0,-1.15,;-0,.39,;1.33,1.16,;2.66,.39,;2.66,-1.15,;1.33,2.7,;-0,3.47,;-1.33,2.7,;-2.67,3.46,;-4,2.69,;-4,1.15,;-2.67,.38,;-2.67,-1.15,;-4,-1.92,;-4,-3.46,;-2.67,-4.24,;-2.67,-5.77,;-4,-6.55,;-4,-8.09,;-5.34,-5.78,;-5.34,-4.24,;-5.33,-1.16,;-6.66,-1.93,;-5.34,.38,;-2.67,5.01,;-1.33,5.78,;-0,5.01,;1.33,5.78,;2.66,5.01,;4,5.78,;4,7.32,;5.33,8.09,;6.66,7.31,;6.66,5.78,;5.34,5.01,;5.34,3.46,;2.66,3.47,;4,2.7,)| | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
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The University of the West Indies
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX2 |
Bioorg Med Chem 16: 276-83 (2008)
Article DOI: 10.1016/j.bmc.2007.09.038
BindingDB Entry DOI: 10.7270/Q22N520H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50559060
(CHEMBL4786787)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n([C@@H]4CCN(C4)S(=O)(=O)C4CC4)c3n2)cc1 |r| | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50599329
(CHEMBL5183865)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccc(F)cc4)n(C4CCN(CC4)C(=O)CO)c3n2)cc1 | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453888
(CHEMBL4214588)Show SMILES COC(=O)c1ccc(O)c(c1)-c1nc(NCc2cccnc2)c2ccccc2n1 Show InChI InChI=1S/C22H18N4O3/c1-29-22(28)15-8-9-19(27)17(11-15)21-25-18-7-3-2-6-16(18)20(26-21)24-13-14-5-4-10-23-12-14/h2-12,27H,13H2,1H3,(H,24,25,26) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM525451
(US11174245, # I-036)Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(5.75,-2.98,;5.75,-1.44,;4.5,-.53,;4.98,.93,;6.52,.93,;6.99,-.53,;4.21,2.26,;2.67,2.26,;1.9,3.6,;2.67,4.93,;4.21,4.93,;4.98,3.6,;.36,3.6,;-.41,4.93,;-.41,2.26,;-1.95,2.26,;-2.86,3.51,;-4.32,3.03,;-5.66,3.8,;-6.99,3.03,;-6.99,1.49,;-5.66,.72,;-4.32,1.49,;-2.86,1.02,;-2.46,-.47,;-.97,-.87,;-.57,-2.36,;-1.66,-3.44,;-1.27,-4.93,;-3.15,-3.05,;-3.55,-1.56,)| | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50599334
(CHEMBL5200385)Show SMILES CN1CCN(CC1)c1ccc(Nc2ccc3cc(-c4ccccc4Cl)c(=O)n([C@H]4CC[C@@H](CC4)NC(C)=O)c3c2)cc1C |r,wU:31.36,wD:28.29,(-4,-8.09,;-4,-6.55,;-2.67,-5.77,;-2.67,-4.24,;-4,-3.46,;-5.34,-4.24,;-5.34,-5.77,;-4,-1.92,;-2.67,-1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-2.67,3.46,;-2.67,5.01,;-1.33,5.78,;-0,5.01,;1.33,5.78,;2.66,5.01,;4,5.78,;4,7.32,;5.33,8.09,;6.66,7.31,;6.66,5.78,;5.34,5.01,;5.34,3.46,;2.66,3.47,;4,2.7,;1.33,2.7,;1.33,1.16,;-0,.39,;-0,-1.15,;1.33,-1.92,;2.66,-1.15,;2.66,.39,;1.33,-3.46,;2.66,-4.23,;2.66,-5.77,;4,-3.46,;-0,3.47,;-1.33,2.7,;-5.34,.38,;-5.33,-1.16,;-6.66,-1.93,)| | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50599333
(CHEMBL5180830) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50599327
(CHEMBL5195321) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50529376
(CHEMBL4520903 | US11584746, Compound I-b)Show InChI InChI=1S/C20H15FN2O/c21-15-10-11-18-19(12-15)23(13-14-6-2-1-3-7-14)20(24)16-8-4-5-9-17(16)22-18/h1-12,22H,13H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
R. C. Patel Institute of Pharmaceutical Education and Research
Curated by ChEMBL
| Assay Description
Inhibition of human EGFR preincubated for 5 mins with substrate followed by ATP addition measured after 30 mins by HTRF method |
Bioorg Med Chem 25: 2713-2723 (2017)
Article DOI: 10.1016/j.bmc.2017.03.039
BindingDB Entry DOI: 10.7270/Q2NP26TD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50258974
(CHEMBL4090601)Show SMILES Nc1ncnc2n(nc(-c3ccc4ccccc4c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C23H22N6O/c1-2-19(30)28-11-5-8-18(13-28)29-23-20(22(24)25-14-26-23)21(27-29)17-10-9-15-6-3-4-7-16(15)12-17/h2-4,6-7,9-10,12,14,18H,1,5,8,11,13H2,(H2,24,25,26)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
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