Found 234 hits with Last Name = 'trigwell' and Initial = 'c' 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)) | 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 | |
Receptor tyrosine-protein kinase erbB-2
(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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | 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 erbB2 |
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)) | BDBM50373856
(CHEMBL271705)Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCOCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H24ClN7O3/c24-18-13-16(4-5-19(18)34-14-17-3-1-2-6-25-17)28-21-20-22(27-15-26-21)29-30-23(20)33-12-9-31-7-10-32-11-8-31/h1-6,13,15H,7-12,14H2,(H2,26,27,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373853
(CHEMBL258282)Show SMILES CN1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H27ClN8O2/c1-32-8-10-33(11-9-32)12-13-34-24-21-22(27-16-28-23(21)30-31-24)29-17-5-6-20(19(25)14-17)35-15-18-4-2-3-7-26-18/h2-7,14,16H,8-13,15H2,1H3,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373862
(CHEMBL402553)Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H24ClN7O2/c24-18-13-16(6-7-19(18)33-14-17-5-1-2-8-25-17)28-21-20-22(27-15-26-21)29-30-23(20)32-12-11-31-9-3-4-10-31/h1-2,5-8,13,15H,3-4,9-12,14H2,(H2,26,27,28,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50371358
(CHEMBL257478)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)CCO Show InChI InChI=1S/C27H29N5O4/c1-17-14-20(9-11-23(17)36-21-10-8-18(2)28-15-21)31-26-25-22(29-16-30-26)6-5-7-24(25)35-19(3)27(34)32(4)12-13-33/h5-11,14-16,19,33H,12-13H2,1-4H3,(H,29,30,31)/t19-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of ebrB2 |
Bioorg Med Chem Lett 18: 674-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.052
BindingDB Entry DOI: 10.7270/Q2736RSH |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373857
(CHEMBL255135)Show SMILES CNCCOc1[nH]nc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C20H20ClN7O2/c1-22-8-9-29-20-17-18(24-12-25-19(17)27-28-20)26-13-5-6-16(15(21)10-13)30-11-14-4-2-3-7-23-14/h2-7,10,12,22H,8-9,11H2,1H3,(H2,24,25,26,27,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373864
(CHEMBL402339)Show SMILES COc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1cccc(F)c1 Show InChI InChI=1S/C26H29FN6O4/c1-35-22-14-19(5-6-21(22)37-15-17-3-2-4-18(27)13-17)30-24-23-25(29-16-28-24)31-32-26(23)36-12-11-33-9-7-20(34)8-10-33/h2-6,13-14,16,20,34H,7-12,15H2,1H3,(H2,28,29,30,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373852
(CHEMBL257430)Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCNCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H25ClN8O2/c24-18-13-16(4-5-19(18)34-14-17-3-1-2-6-26-17)29-21-20-22(28-15-27-21)30-31-23(20)33-12-11-32-9-7-25-8-10-32/h1-6,13,15,25H,7-12,14H2,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373869
(CHEMBL258270)Show SMILES CC(=O)N1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H27ClN8O3/c1-17(35)34-10-8-33(9-11-34)12-13-36-25-22-23(28-16-29-24(22)31-32-25)30-18-5-6-21(20(26)14-18)37-15-19-4-2-3-7-27-19/h2-7,14,16H,8-13,15H2,1H3,(H2,28,29,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373861
(CHEMBL411897)Show SMILES COC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H28ClN7O3/c1-34-19-7-10-33(11-8-19)12-13-35-25-22-23(28-16-29-24(22)31-32-25)30-17-5-6-21(20(26)14-17)36-15-18-4-2-3-9-27-18/h2-6,9,14,16,19H,7-8,10-13,15H2,1H3,(H2,28,29,30,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373855
(CHEMBL272935)Show SMILES CN1CCN(CCCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H29ClN8O2/c1-33-10-12-34(13-11-33)9-4-14-35-25-22-23(28-17-29-24(22)31-32-25)30-18-6-7-21(20(26)15-18)36-16-19-5-2-3-8-27-19/h2-3,5-8,15,17H,4,9-14,16H2,1H3,(H2,28,29,30,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373859
(CHEMBL257861)Show SMILES OCCOc1[nH]nc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C19H17ClN6O3/c20-14-9-12(4-5-15(14)29-10-13-3-1-2-6-21-13)24-17-16-18(23-11-22-17)25-26-19(16)28-8-7-27/h1-6,9,11,27H,7-8,10H2,(H2,22,23,24,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373854
(CHEMBL257873)Show SMILES Cc1ccc(Oc2ccc(Nc3ncnc4n[nH]c(OCCN5CCC(O)CC5)c34)cc2F)cn1 Show InChI InChI=1S/C24H26FN7O3/c1-15-2-4-18(13-26-15)35-20-5-3-16(12-19(20)25)29-22-21-23(28-14-27-22)30-31-24(21)34-11-10-32-8-6-17(33)7-9-32/h2-5,12-14,17,33H,6-11H2,1H3,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373867
(CHEMBL404405)Show SMILES OC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H26ClN7O3/c25-19-13-16(4-5-20(19)35-14-17-3-1-2-8-26-17)29-22-21-23(28-15-27-22)30-31-24(21)34-12-11-32-9-6-18(33)7-10-32/h1-5,8,13,15,18,33H,6-7,9-12,14H2,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373866
(CHEMBL403435)Show SMILES Cc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C25H29N7O3/c1-17-14-18(5-6-21(17)35-15-19-4-2-3-9-26-19)29-23-22-24(28-16-27-23)30-31-25(22)34-13-12-32-10-7-20(33)8-11-32/h2-6,9,14,16,20,33H,7-8,10-13,15H2,1H3,(H2,27,28,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50184464
(CHEMBL3822644)Show SMILES C[C@@H](N)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r| Show InChI InChI=1S/C24H28ClN9O/c1-14(26)23(35)32-10-7-17(8-11-32)34-16(3)21(15(2)31-34)29-24-27-13-19(25)22(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-14,17H,7-8,10-11,26H2,1-3H3,(H,27,29,30)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins |
J Med Chem 59: 4859-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373853
(CHEMBL258282)Show SMILES CN1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H27ClN8O2/c1-32-8-10-33(11-9-32)12-13-34-24-21-22(27-16-28-23(21)30-31-24)29-17-5-6-20(19(25)14-17)35-15-18-4-2-3-7-26-18/h2-7,14,16H,8-13,15H2,1H3,(H2,27,28,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373860
(CHEMBL257860)Show SMILES OC1CCN(CCCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H28ClN7O3/c26-20-14-17(5-6-21(20)36-15-18-4-1-2-9-27-18)30-23-22-24(29-16-28-23)31-32-25(22)35-13-3-10-33-11-7-19(34)8-12-33/h1-2,4-6,9,14,16,19,34H,3,7-8,10-13,15H2,(H2,28,29,30,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50184465
(CHEMBL3822976)Show SMILES CNCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C Show InChI InChI=1S/C24H28ClN9O/c1-15-22(16(2)34(31-15)17-7-10-32(11-8-17)21(35)14-26-3)29-24-27-13-19(25)23(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-13,17,26H,7-8,10-11,14H2,1-3H3,(H,27,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins |
J Med Chem 59: 4859-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50184462
(CHEMBL3823154)Show SMILES Cc1nn(C2CCN(CC2)C(=O)CN)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C23H26ClN9O/c1-14-21(15(2)33(30-14)16-6-9-31(10-7-16)20(34)11-25)28-23-26-13-18(24)22(29-23)17-12-27-32-8-4-3-5-19(17)32/h3-5,8,12-13,16H,6-7,9-11,25H2,1-2H3,(H,26,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins |
J Med Chem 59: 4859-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50184475
(CHEMBL3822989)Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c(C)n1 Show InChI InChI=1S/C22H23ClN8O/c1-14-19(13-31(28-14)16-6-9-29(10-7-16)15(2)32)26-22-24-12-18(23)21(27-22)17-11-25-30-8-4-3-5-20(17)30/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,24,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins |
J Med Chem 59: 4859-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236375
((S)-2-(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...)Show SMILES C[C@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12)C(=O)N(C)C Show InChI InChI=1S/C27H25FN6O2/c1-17(27(35)33(2)3)36-24-9-5-8-22-25(24)26(30-16-29-22)32-21-10-11-23-19(13-21)14-31-34(23)15-18-6-4-7-20(28)12-18/h4-14,16-17H,15H2,1-3H3,(H,29,30,32)/t17-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human erbB2 autophosphorylation in MCF7 cells |
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)) | BDBM50373858
(CHEMBL255170)Show SMILES Cc1ccc(Oc2ccc(Nc3ncnc4n[nH]c(OCCN5CCC(O)CC5)c34)cc2Cl)cn1 Show InChI InChI=1S/C24H26ClN7O3/c1-15-2-4-18(13-26-15)35-20-5-3-16(12-19(20)25)29-22-21-23(28-14-27-22)30-31-24(21)34-11-10-32-8-6-17(33)7-9-32/h2-5,12-14,17,33H,6-11H2,1H3,(H2,27,28,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373862
(CHEMBL402553)Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H24ClN7O2/c24-18-13-16(6-7-19(18)33-14-17-5-1-2-8-25-17)28-21-20-22(27-15-26-21)29-30-23(20)32-12-11-31-9-3-4-10-31/h1-2,5-8,13,15H,3-4,9-12,14H2,(H2,26,27,28,29,30) | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50184463
(CHEMBL3824103)Show SMILES C[C@H](N)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r| Show InChI InChI=1S/C24H28ClN9O/c1-14(26)23(35)32-10-7-17(8-11-32)34-16(3)21(15(2)31-34)29-24-27-13-19(25)22(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-14,17H,7-8,10-11,26H2,1-3H3,(H,27,29,30)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins |
J Med Chem 59: 4859-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236373
((R)-2-(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12)C(=O)N(C)C Show InChI InChI=1S/C27H25FN6O2/c1-17(27(35)33(2)3)36-24-9-5-8-22-25(24)26(30-16-29-22)32-21-10-11-23-19(13-21)14-31-34(23)15-18-6-4-7-20(28)12-18/h4-14,16-17H,15H2,1-3H3,(H,29,30,32)/t17-/m1/s1 | PDB
MMDB
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 |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human erbB2 autophosphorylation in MCF7 cells |
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)) | BDBM50373852
(CHEMBL257430)Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCNCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H25ClN8O2/c24-18-13-16(4-5-19(18)34-14-17-3-1-2-6-26-17)29-21-20-22(28-15-27-21)30-31-23(20)33-12-11-32-9-7-25-8-10-32/h1-6,13,15,25H,7-12,14H2,(H2,27,28,29,30,31) | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50184476
(CHEMBL3823301)Show SMILES CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C Show InChI InChI=1S/C22H23ClN8O/c1-14-19(13-26-31(14)16-6-9-29(10-7-16)15(2)32)27-22-24-12-18(23)21(28-22)17-11-25-30-8-4-3-5-20(17)30/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,24,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins |
J Med Chem 59: 4859-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236370
((R)-N,N-dimethyl-2-(4-(1-(pyridin-2-ylmethyl)-1H-i...)Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)C(=O)N(C)C Show InChI InChI=1S/C26H25N7O2/c1-17(26(34)32(2)3)35-23-9-6-8-21-24(23)25(29-16-28-21)31-19-10-11-22-18(13-19)14-30-33(22)15-20-7-4-5-12-27-20/h4-14,16-17H,15H2,1-3H3,(H,28,29,31)/t17-/m1/s1 | PDB
MMDB
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 |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
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 | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50184452
(CHEMBL3822943)Show SMILES CCOc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C23H25ClN8O2/c1-3-34-22-19(14-32(29-22)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)21(28-23)17-12-26-31-9-5-4-6-20(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts |
J Med Chem 59: 4859-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373860
(CHEMBL257860)Show SMILES OC1CCN(CCCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H28ClN7O3/c26-20-14-17(5-6-21(20)36-15-18-4-1-2-9-27-18)30-23-22-24(29-16-28-23)31-32-25(22)35-13-3-10-33-11-7-19(34)8-12-33/h1-2,4-6,9,14,16,19,34H,3,7-8,10-13,15H2,(H2,28,29,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50184455
(CHEMBL3824323)Show SMILES Cc1nn(C2CCN(CCO)CC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C23H27ClN8O/c1-15-21(16(2)32(29-15)17-6-9-30(10-7-17)11-12-33)27-23-25-14-19(24)22(28-23)18-13-26-31-8-4-3-5-20(18)31/h3-5,8,13-14,17,33H,6-7,9-12H2,1-2H3,(H,25,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins |
J Med Chem 59: 4859-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50184457
(CHEMBL3823095)Show SMILES CN(C)C(=O)CN1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C Show InChI InChI=1S/C25H30ClN9O/c1-16-23(17(2)35(31-16)18-8-11-33(12-9-18)15-22(36)32(3)4)29-25-27-14-20(26)24(30-25)19-13-28-34-10-6-5-7-21(19)34/h5-7,10,13-14,18H,8-9,11-12,15H2,1-4H3,(H,27,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins |
J Med Chem 59: 4859-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50184467
(CHEMBL3823297)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H24ClN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-20(22(13-17)34-2)28-24-26-15-19(25)23(29-24)18-14-27-32-8-4-3-5-21(18)32/h3-8,13-15H,9-12H2,1-2H3,(H,26,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins |
J Med Chem 59: 4859-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50184460
(CHEMBL3822947)Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r| Show InChI InChI=1S/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins |
J Med Chem 59: 4859-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50373865
(CHEMBL257872)Show SMILES Cc1ccc(Oc2ccc(Nc3ncnc4n[nH]c(OCCN5CCC(O)CC5)c34)cc2C)cn1 Show InChI InChI=1S/C25H29N7O3/c1-16-13-18(4-6-21(16)35-20-5-3-17(2)26-14-20)29-23-22-24(28-15-27-23)30-31-25(22)34-12-11-32-9-7-19(33)8-10-32/h3-6,13-15,19,33H,7-12H2,1-2H3,(H2,27,28,29,30,31) | PDB
MMDB
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of erbB2 |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50184459
(CHEMBL3822651)Show SMILES COCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C Show InChI InChI=1S/C24H27ClN8O2/c1-15-22(16(2)33(30-15)17-7-10-31(11-8-17)21(34)14-35-3)28-24-26-13-19(25)23(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,17H,7-8,10-11,14H2,1-3H3,(H,26,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins |
J Med Chem 59: 4859-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50236381
((S)-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-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of human erbB2 autophosphorylation in MCF7 cells |
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 | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50184456
(CHEMBL3823962)Show SMILES CNC(=O)CN1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C Show InChI InChI=1S/C24H28ClN9O/c1-15-22(16(2)34(31-15)17-7-10-32(11-8-17)14-21(35)26-3)29-24-27-13-19(25)23(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-13,17H,7-8,10-11,14H2,1-3H3,(H,26,35)(H,27,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins |
J Med Chem 59: 4859-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50184458
(CHEMBL3822587)Show SMILES Cc1nn(C2CCN(CC2)C(=O)CO)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C23H25ClN8O2/c1-14-21(15(2)32(29-14)16-6-9-30(10-7-16)20(34)13-33)27-23-25-12-18(24)22(28-23)17-11-26-31-8-4-3-5-19(17)31/h3-5,8,11-12,16,33H,6-7,9-10,13H2,1-2H3,(H,25,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins |
J Med Chem 59: 4859-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373867
(CHEMBL404405)Show SMILES OC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H26ClN7O3/c25-19-13-16(4-5-20(19)35-14-17-3-1-2-8-26-17)29-22-21-23(28-15-27-22)30-31-24(21)34-12-11-32-9-6-18(33)7-10-32/h1-5,8,13,15,18,33H,6-7,9-12,14H2,(H2,27,28,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373864
(CHEMBL402339)Show SMILES COc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1cccc(F)c1 Show InChI InChI=1S/C26H29FN6O4/c1-35-22-14-19(5-6-21(22)37-15-17-3-2-4-18(27)13-17)30-24-23-25(29-16-28-24)31-32-26(23)36-12-11-33-9-7-20(34)8-10-33/h2-6,13-14,16,20,34H,7-12,15H2,1H3,(H2,28,29,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50184472
(CHEMBL3822543)Show SMILES Cc1c(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cnn1C1CCNCC1 Show InChI InChI=1S/C20H21ClN8/c1-13-16(11-25-29(13)14-5-7-22-8-6-14)26-20-24-10-15(21)19(27-20)17-12-23-18-4-2-3-9-28(17)18/h2-4,9-12,14,22H,5-8H2,1H3,(H,24,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins |
J Med Chem 59: 4859-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50184450
(CHEMBL3824296)Show SMILES Cc1nn(C2CCNCC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C21H23ClN8/c1-13-19(14(2)30(28-13)15-6-8-23-9-7-15)26-21-24-12-17(22)20(27-21)16-11-25-29-10-4-3-5-18(16)29/h3-5,10-12,15,23H,6-9H2,1-2H3,(H,24,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins |
J Med Chem 59: 4859-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50184461
(CHEMBL3823030)Show SMILES C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r| Show InChI InChI=1S/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins |
J Med Chem 59: 4859-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373855
(CHEMBL272935)Show SMILES CN1CCN(CCCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H29ClN8O2/c1-33-10-12-34(13-11-33)9-4-14-35-25-22-23(28-17-29-24(22)31-32-25)30-18-6-7-21(20(26)15-18)36-16-19-5-2-3-8-27-19/h2-3,5-8,15,17H,4,9-14,16H2,1H3,(H2,28,29,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50184452
(CHEMBL3822943)Show SMILES CCOc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C23H25ClN8O2/c1-3-34-22-19(14-32(29-22)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)21(28-23)17-12-26-31-9-5-4-6-20(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins |
J Med Chem 59: 4859-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373859
(CHEMBL257861)Show SMILES OCCOc1[nH]nc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C19H17ClN6O3/c20-14-9-12(4-5-15(14)29-10-13-3-1-2-6-21-13)24-17-16-18(23-11-22-17)25-26-19(16)28-8-7-27/h1-6,9,11,27H,7-8,10H2,(H2,22,23,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50373868
(CHEMBL257859)Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCCN4CCOCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C24H26ClN7O3/c25-19-14-17(5-6-20(19)35-15-18-4-1-2-7-26-18)29-22-21-23(28-16-27-22)30-31-24(21)34-11-3-8-32-9-12-33-13-10-32/h1-2,4-7,14,16H,3,8-13,15H2,(H2,27,28,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 18: 959-62 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.035
BindingDB Entry DOI: 10.7270/Q21N81ZG |
More data for this
Ligand-Target Pair | |
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