Found 868 hits with Last Name = 'kendrew' and Initial = 'j' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50383866
(CHEMBL2031174)Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1 |r| Show InChI InChI=1S/C23H31N5O3/c1-31-21-9-7-18(15-25-21)20(14-22(29)30)28-13-12-27(16-28)11-3-5-19-8-6-17-4-2-10-24-23(17)26-19/h6-9,15,20H,2-5,10-14,16H2,1H3,(H,24,26)(H,29,30)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at integrin alphavbeta3 in human A375M cells assessed as inhibition of cell adhesion to fibrinogen in presence of Mg2+ |
Bioorg Med Chem Lett 22: 4111-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.063
BindingDB Entry DOI: 10.7270/Q26W9C3R |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50134778
((S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(5,6,...)Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+ |
Bioorg Med Chem Lett 22: 4117-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383862
(CHEMBL2031168)Show SMILES CN1CCNc2nc(CCOc3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(O)=O)cc3)ccc12 |r| Show InChI InChI=1S/C26H26Cl2N4O4/c1-32-13-12-29-24-22(32)10-7-17(30-24)11-14-36-18-8-5-16(6-9-18)15-21(26(34)35)31-25(33)23-19(27)3-2-4-20(23)28/h2-10,21H,11-15H2,1H3,(H,29,30)(H,31,33)(H,34,35)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4111-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.063
BindingDB Entry DOI: 10.7270/Q26W9C3R |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383865
(CHEMBL2031169)Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2ccc3OCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C25H23Cl2N3O5/c26-18-2-1-3-19(27)22(18)24(31)30-20(25(32)33)14-15-4-7-17(8-5-15)34-12-10-16-6-9-21-23(29-16)28-11-13-35-21/h1-9,20H,10-14H2,(H,28,29)(H,30,31)(H,32,33)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4111-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.063
BindingDB Entry DOI: 10.7270/Q26W9C3R |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383784
(CHEMBL2030810)Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)noc3C)C(O)=O)cc2)n1 |r| Show InChI InChI=1S/C23H26N4O5/c1-14-21(15(2)32-27-14)22(28)26-19(23(29)30)13-16-7-9-18(10-8-16)31-12-11-17-5-4-6-20(24-3)25-17/h4-10,19H,11-13H2,1-3H3,(H,24,25)(H,26,28)(H,29,30)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4117-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383787
(CHEMBL2030806)Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)n1 |r| Show InChI InChI=1S/C27H31N3O4/c1-17-14-18(2)25(19(3)15-17)26(31)30-23(27(32)33)16-20-8-10-22(11-9-20)34-13-12-21-6-5-7-24(28-4)29-21/h5-11,14-15,23H,12-13,16H2,1-4H3,(H,28,29)(H,30,31)(H,32,33)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4117-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4683
(4-Anilinoquinazoline 30 | N-(4-bromo-2-fluoropheny...)Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OC[C@@H]1CCCN(C)C1 |r| Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-3-4-14(11-28)12-30-21-10-19-16(9-20(21)29-2)22(26-13-25-19)27-18-6-5-15(23)8-17(18)24/h5-6,8-10,13-14H,3-4,7,11-12H2,1-2H3,(H,25,26,27)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | 25 |
AstraZeneca
| Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room... |
J Med Chem 45: 1300-12 (2002)
Article DOI: 10.1021/jm011022e
BindingDB Entry DOI: 10.7270/Q29C6VMW |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383801
(CHEMBL2030968)Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)nc2)n1 |r| Show InChI InChI=1S/C23H22Cl2N4O4/c1-26-20-7-2-4-14(28-20)10-11-33-16-9-8-15(27-13-16)12-19(23(31)32)29-22(30)21-17(24)5-3-6-18(21)25/h2-9,13,19H,10-12H2,1H3,(H,26,28)(H,29,30)(H,31,32)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4117-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50383861
(CHEMBL2031160)Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C26H25Cl2N3O4/c27-20-4-1-5-21(28)23(20)25(32)31-22(26(33)34)15-16-6-10-19(11-7-16)35-14-12-18-9-8-17-3-2-13-29-24(17)30-18/h1,4-11,22H,2-3,12-15H2,(H,29,30)(H,31,32)(H,33,34)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Antagonist activity at integrin alphavbeta3 in human A375M cells assessed as inhibition of cell adhesion to fibrinogen in presence of Mg2+ |
Bioorg Med Chem Lett 22: 4111-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.063
BindingDB Entry DOI: 10.7270/Q26W9C3R |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50183849
((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C(C)C)[C@@H](C)C(N)=O Show InChI InChI=1S/C22H25ClFN5O2/c1-12(2)29(13(3)21(25)30)10-14-8-15-18(9-19(14)31-4)26-11-27-22(15)28-17-7-5-6-16(23)20(17)24/h5-9,11-13H,10H2,1-4H3,(H2,25,30)(H,26,27,28)/t13-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of EGFR in presence of 2 uM ATP |
Bioorg Med Chem Lett 16: 2672-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50190001
(CHEMBL213007 | N-(5-chloro-2-fluorophenyl)-7-metho...)Show SMILES COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OC1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C21H22ClFN4O4S/c1-30-19-11-17-15(10-20(19)31-14-5-7-27(8-6-14)32(2,28)29)21(25-12-24-17)26-18-9-13(22)3-4-16(18)23/h3-4,9-12,14H,5-8H2,1-2H3,(H,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 | 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 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383799
(CHEMBL2030805)Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)cccc3C)C(O)=O)cc2)n1 |r| Show InChI InChI=1S/C26H29N3O4/c1-17-6-4-7-18(2)24(17)25(30)29-22(26(31)32)16-19-10-12-21(13-11-19)33-15-14-20-8-5-9-23(27-3)28-20/h4-13,22H,14-16H2,1-3H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4117-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50190002
(CHEMBL387265 | N-(3-chloro-2-fluorophenyl)-7-metho...)Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C21H22ClFN4O4S/c1-30-18-11-17-14(10-19(18)31-13-6-8-27(9-7-13)32(2,28)29)21(25-12-24-17)26-16-5-3-4-15(22)20(16)23/h3-5,10-13H,6-9H2,1-2H3,(H,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 EGFR |
Bioorg Med Chem Lett 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189993
(2-(4-(4-(3-chloro-2-fluorophenylamino)-7-methoxyqu...)Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C22H23ClFN5O3/c1-31-18-10-17-14(9-19(18)32-13-5-7-29(8-6-13)11-20(25)30)22(27-12-26-17)28-16-4-2-3-15(23)21(16)24/h2-4,9-10,12-13H,5-8,11H2,1H3,(H2,25,30)(H,26,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 EGFR |
Bioorg Med Chem Lett 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383793
(CHEMBL2030799)Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3Cl)C(O)=O)cc2)n1 |r| Show InChI InChI=1S/C24H23ClFN3O4/c1-27-22-4-2-3-17(28-22)11-12-33-18-8-5-15(6-9-18)13-21(24(31)32)29-23(30)19-10-7-16(26)14-20(19)25/h2-10,14,21H,11-13H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4117-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383802
(CHEMBL2030964)Show SMILES CNc1cccc(CCCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)s2)n1 |r| Show InChI InChI=1S/C23H23Cl2N3O3S/c1-26-20-10-3-6-14(27-20)5-2-7-15-11-12-16(32-15)13-19(23(30)31)28-22(29)21-17(24)8-4-9-18(21)25/h3-4,6,8-12,19H,2,5,7,13H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4117-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383803
(CHEMBL2030961)Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2F)n1 |r| Show InChI InChI=1S/C24H22Cl2FN3O4/c1-28-21-7-2-4-15(29-21)10-11-34-20-9-8-14(12-18(20)27)13-19(24(32)33)30-23(31)22-16(25)5-3-6-17(22)26/h2-9,12,19H,10-11,13H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4117-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4633
(2-chloro-4-fluoro-5-{[6-methoxy-7-(2-methoxyethoxy...)Show InChI InChI=1S/C19H18ClFN2O4/c1-25-5-6-27-19-10-15-11(7-18(19)26-2)14(3-4-22-15)23-16-9-17(24)12(20)8-13(16)21/h3-4,7-10,24H,5-6H2,1-2H3,(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <2 | n/a | n/a | n/a | n/a | n/a | 25 |
AstraZeneca
| Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room... |
J Med Chem 42: 5369-89 (1999)
Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189995
(CHEMBL213874 | N-(3-chloro-2-fluorophenyl)-7-metho...)Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24ClFN4O2/c1-28-8-6-14(7-9-28)12-30-20-10-15-18(11-19(20)29-2)25-13-26-22(15)27-17-5-3-4-16(23)21(17)24/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| 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 EGFR |
Bioorg Med Chem Lett 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50190000
(CHEMBL214798 | N-(3-chloro-2-fluorophenyl)-7-metho...)Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(C)CC1 Show InChI InChI=1S/C21H22ClFN4O2/c1-27-8-6-13(7-9-27)29-19-10-14-17(11-18(19)28-2)24-12-25-21(14)26-16-5-3-4-15(22)20(16)23/h3-5,10-13H,6-9H2,1-2H3,(H,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
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| 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 EGFR |
Bioorg Med Chem Lett 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM4630
(2-chloro-4-fluoro-5-{[6-methoxy-7-(2-methoxyethoxy...)Show InChI InChI=1S/C18H17ClFN3O4/c1-25-3-4-27-17-8-13-10(5-16(17)26-2)18(22-9-21-13)23-14-7-15(24)11(19)6-12(14)20/h5-9,24H,3-4H2,1-2H3,(H,21,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
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Patents
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| Article
PubMed
| n/a | n/a | <2 | n/a | n/a | n/a | n/a | 7.4 | 22 |
AstraZeneca
| Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room... |
J Med Chem 42: 5369-89 (1999)
Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4630
(2-chloro-4-fluoro-5-{[6-methoxy-7-(2-methoxyethoxy...)Show InChI InChI=1S/C18H17ClFN3O4/c1-25-3-4-27-17-8-13-10(5-16(17)26-2)18(22-9-21-13)23-14-7-15(24)11(19)6-12(14)20/h5-9,24H,3-4H2,1-2H3,(H,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
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Patents
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| Article
PubMed
| n/a | n/a | <2 | n/a | n/a | n/a | n/a | n/a | 25 |
AstraZeneca
| Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room... |
J Med Chem 42: 5369-89 (1999)
Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383861
(CHEMBL2031160)Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C26H25Cl2N3O4/c27-20-4-1-5-21(28)23(20)25(32)31-22(26(33)34)15-16-6-10-19(11-7-16)35-14-12-18-9-8-17-3-2-13-29-24(17)30-18/h1,4-11,22H,2-3,12-15H2,(H,29,30)(H,31,32)(H,33,34)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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PC sid
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Similars
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PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion to fibronectin in presence of Mg2+ and MK-04... |
Bioorg Med Chem Lett 22: 4111-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.063
BindingDB Entry DOI: 10.7270/Q26W9C3R |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383863
(CHEMBL2031162)Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)Cc2ccc3CCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C26H24Cl2N4O4/c27-19-4-1-5-20(28)23(19)25(34)32-21(26(35)36)13-15-6-9-17(10-7-15)30-22(33)14-18-11-8-16-3-2-12-29-24(16)31-18/h1,4-11,21H,2-3,12-14H2,(H,29,31)(H,30,33)(H,32,34)(H,35,36)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4111-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.063
BindingDB Entry DOI: 10.7270/Q26W9C3R |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383875
(CHEMBL2031172)Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2cccc(NCC3CC3)n2)cc1)NC(=O)c1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C27H27Cl2N3O4/c28-21-4-2-5-22(29)25(21)26(33)32-23(27(34)35)15-17-9-11-20(12-10-17)36-14-13-19-3-1-6-24(31-19)30-16-18-7-8-18/h1-6,9-12,18,23H,7-8,13-16H2,(H,30,31)(H,32,33)(H,34,35)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
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| 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
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4111-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.063
BindingDB Entry DOI: 10.7270/Q26W9C3R |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189991
(CHEMBL214857 | N-(3-chloro-2-fluorophenyl)-7-metho...)Show SMILES COCCN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC Show InChI InChI=1S/C23H26ClFN4O3/c1-30-11-10-29-8-6-15(7-9-29)32-21-12-16-19(13-20(21)31-2)26-14-27-23(16)28-18-5-3-4-17(24)22(18)25/h3-5,12-15H,6-11H2,1-2H3,(H,26,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
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| 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 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383788
(CHEMBL2030804)Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3C3CC3)C(O)=O)cc2)n1 |r| Show InChI InChI=1S/C27H28FN3O4/c1-29-25-4-2-3-20(30-25)13-14-35-21-10-5-17(6-11-21)15-24(27(33)34)31-26(32)22-12-9-19(28)16-23(22)18-7-8-18/h2-6,9-12,16,18,24H,7-8,13-15H2,1H3,(H,29,30)(H,31,32)(H,33,34)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4117-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4627
(5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2...)Show InChI InChI=1S/C17H16FN3O3/c1-9-4-11(18)13(6-14(9)22)21-17-10-5-15(23-2)16(24-3)7-12(10)19-8-20-17/h4-8,22H,1-3H3,(H,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | 25 |
AstraZeneca
| Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room... |
J Med Chem 42: 5369-89 (1999)
Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383804
(CHEMBL2030960)Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2C)n1 |r| Show InChI InChI=1S/C25H25Cl2N3O4/c1-15-13-16(9-10-21(15)34-12-11-17-5-3-8-22(28-2)29-17)14-20(25(32)33)30-24(31)23-18(26)6-4-7-19(23)27/h3-10,13,20H,11-12,14H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4117-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189990
(CHEMBL215786 | N-(3-chloro-4-fluorophenyl)-7-metho...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24ClFN4O2/c1-28-7-5-14(6-8-28)12-30-21-10-16-19(11-20(21)29-2)25-13-26-22(16)27-15-3-4-18(24)17(23)9-15/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) | 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 16: 4908-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.054
BindingDB Entry DOI: 10.7270/Q2R78DTM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM4633
(2-chloro-4-fluoro-5-{[6-methoxy-7-(2-methoxyethoxy...)Show InChI InChI=1S/C19H18ClFN2O4/c1-25-5-6-27-19-10-15-11(7-18(19)26-2)14(3-4-22-15)23-16-9-17(24)12(20)8-13(16)21/h3-4,7-10,24H,5-6H2,1-2H3,(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.4 | 22 |
AstraZeneca
| Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room... |
J Med Chem 42: 5369-89 (1999)
Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383794
(CHEMBL2030798)Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(O)=O)cc2)n1 |r| Show InChI InChI=1S/C24H24ClN3O4/c1-26-22-8-4-5-17(27-22)13-14-32-18-11-9-16(10-12-18)15-21(24(30)31)28-23(29)19-6-2-3-7-20(19)25/h2-12,21H,13-15H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4117-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4635
(2-chloro-4-fluoro-5-{[6-methoxy-7-(2-methoxyethoxy...)Show InChI InChI=1S/C18H17ClFN3O4/c1-25-3-4-27-18-8-13-10(5-17(18)26-2)15(9-21-23-13)22-14-7-16(24)11(19)6-12(14)20/h5-9,24H,3-4H2,1-2H3,(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | 25 |
AstraZeneca
| Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room... |
J Med Chem 42: 5369-89 (1999)
Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383789
(CHEMBL2030803)Show SMILES CCc1cc(F)ccc1C(=O)N[C@@H](Cc1ccc(OCCc2cccc(NC)n2)cc1)C(O)=O |r| Show InChI InChI=1S/C26H28FN3O4/c1-3-18-16-19(27)9-12-22(18)25(31)30-23(26(32)33)15-17-7-10-21(11-8-17)34-14-13-20-5-4-6-24(28-2)29-20/h4-12,16,23H,3,13-15H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4117-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383864
(CHEMBL2031163)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C(=O)NCc1ccc2CCCNc2n1)NC(=O)c1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C26H24Cl2N4O4/c27-19-4-1-5-20(28)22(19)25(34)32-21(26(35)36)13-15-6-8-17(9-7-15)24(33)30-14-18-11-10-16-3-2-12-29-23(16)31-18/h1,4-11,21H,2-3,12-14H2,(H,29,31)(H,30,33)(H,32,34)(H,35,36)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4111-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.063
BindingDB Entry DOI: 10.7270/Q26W9C3R |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383782
(CHEMBL2030812)Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)C3(C)CCCCC3)C(O)=O)cc2)n1 |r| Show InChI InChI=1S/C25H33N3O4/c1-25(14-4-3-5-15-25)24(31)28-21(23(29)30)17-18-9-11-20(12-10-18)32-16-13-19-7-6-8-22(26-2)27-19/h6-12,21H,3-5,13-17H2,1-2H3,(H,26,27)(H,28,31)(H,29,30)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4117-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4629
(3-{[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]a...)Show InChI InChI=1S/C18H19N3O4/c1-23-6-7-25-17-10-15-14(9-16(17)24-2)18(20-11-19-15)21-12-4-3-5-13(22)8-12/h3-5,8-11,22H,6-7H2,1-2H3,(H,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | 25 |
AstraZeneca
| Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room... |
J Med Chem 42: 5369-89 (1999)
Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4682
(4-Anilinoquinazoline 29 | N-(4-chloro-2-fluorophen...)Show SMILES COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC[C@@H]1CCCN(C)C1 |r| Show InChI InChI=1S/C22H24ClFN4O2/c1-28-7-3-4-14(11-28)12-30-21-10-19-16(9-20(21)29-2)22(26-13-25-19)27-18-6-5-15(23)8-17(18)24/h5-6,8-10,13-14H,3-4,7,11-12H2,1-2H3,(H,25,26,27)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | 25 |
AstraZeneca
| Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room... |
J Med Chem 45: 1300-12 (2002)
Article DOI: 10.1021/jm011022e
BindingDB Entry DOI: 10.7270/Q29C6VMW |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383806
(CHEMBL2030969)Show SMILES CNc1cccc(CCCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cn2)n1 |r| Show InChI InChI=1S/C24H24Cl2N4O3/c1-27-21-10-3-7-17(29-21)6-2-5-16-12-11-15(14-28-16)13-20(24(32)33)30-23(31)22-18(25)8-4-9-19(22)26/h3-4,7-12,14,20H,2,5-6,13H2,1H3,(H,27,29)(H,30,31)(H,32,33)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4117-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383800
(CHEMBL2030970)Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cn2)n1 |r| Show InChI InChI=1S/C23H22Cl2N4O4/c1-26-19-7-2-4-15(28-19)10-11-33-20-9-8-14(13-27-20)12-18(23(31)32)29-22(30)21-16(24)5-3-6-17(21)25/h2-9,13,18H,10-12H2,1H3,(H,26,28)(H,29,30)(H,31,32)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4117-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50183837
((R)-1-((4-(3-chloro-4-fluorophenylamino)-7-methoxy...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@@H]1C(N)=O Show InChI InChI=1S/C21H21ClFN5O2/c1-30-19-9-17-14(7-12(19)10-28-6-2-3-18(28)20(24)29)21(26-11-25-17)27-13-4-5-16(23)15(22)8-13/h4-5,7-9,11,18H,2-3,6,10H2,1H3,(H2,24,29)(H,25,26,27)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 EGFR in presence of 2 uM ATP |
Bioorg Med Chem Lett 16: 2672-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50183856
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)Show SMILES COCCN1CC(C1)(N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O Show InChI InChI=1S/C24H28ClFN6O3/c1-31(24(23(27)33)12-32(13-24)7-8-34-2)11-15-9-16-19(10-20(15)35-3)28-14-29-22(16)30-18-6-4-5-17(25)21(18)26/h4-6,9-10,14H,7-8,11-13H2,1-3H3,(H2,27,33)(H,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 EGFR in presence of 2 uM ATP |
Bioorg Med Chem Lett 16: 2672-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4680
(4-Anilinoquinazoline 27 | N-(4-Bromo-2-fluoropheny...)Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCC1CCN(C)CC1 Show InChI InChI=1S/C23H26BrFN4O2/c1-29-8-5-15(6-9-29)7-10-31-22-13-20-17(12-21(22)30-2)23(27-14-26-20)28-19-4-3-16(24)11-18(19)25/h3-4,11-15H,5-10H2,1-2H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | 25 |
AstraZeneca
| Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room... |
J Med Chem 45: 1300-12 (2002)
Article DOI: 10.1021/jm011022e
BindingDB Entry DOI: 10.7270/Q29C6VMW |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50183837
((R)-1-((4-(3-chloro-4-fluorophenylamino)-7-methoxy...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@@H]1C(N)=O Show InChI InChI=1S/C21H21ClFN5O2/c1-30-19-9-17-14(7-12(19)10-28-6-2-3-18(28)20(24)29)21(26-11-25-17)27-13-4-5-16(23)15(22)8-13/h4-5,7-9,11,18H,2-3,6,10H2,1H3,(H2,24,29)(H,25,26,27)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 EGFR in presence of 2 uM ATP |
Bioorg Med Chem Lett 16: 2672-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4645
(4-Anilinoquinazoline 13 | Anilinoquinazoline deriv...)Show SMILES COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCN(C)c1ccncc1 Show InChI InChI=1S/C23H21ClFN5O2/c1-30(16-5-7-26-8-6-16)9-10-32-22-13-20-17(12-21(22)31-2)23(28-14-27-20)29-19-4-3-15(24)11-18(19)25/h3-8,11-14H,9-10H2,1-2H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | 25 |
AstraZeneca
| Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room... |
J Med Chem 42: 5369-89 (1999)
Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4645
(4-Anilinoquinazoline 13 | Anilinoquinazoline deriv...)Show SMILES COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCN(C)c1ccncc1 Show InChI InChI=1S/C23H21ClFN5O2/c1-30(16-5-7-26-8-6-16)9-10-32-22-13-20-17(12-21(22)31-2)23(28-14-27-20)29-19-4-3-15(24)11-18(19)25/h3-8,11-14H,9-10H2,1-2H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | 25 |
AstraZeneca
| Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room... |
J Med Chem 45: 1300-12 (2002)
Article DOI: 10.1021/jm011022e
BindingDB Entry DOI: 10.7270/Q29C6VMW |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50183856
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)Show SMILES COCCN1CC(C1)(N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O Show InChI InChI=1S/C24H28ClFN6O3/c1-31(24(23(27)33)12-32(13-24)7-8-34-2)11-15-9-16-19(10-20(15)35-3)28-14-29-22(16)30-18-6-4-5-17(25)21(18)26/h4-6,9-10,14H,7-8,11-13H2,1-3H3,(H2,27,33)(H,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 EGFR in presence of 2 uM ATP |
Bioorg Med Chem Lett 16: 2672-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383786
(CHEMBL2030807)Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)n1 |r| Show InChI InChI=1S/C24H23Cl2N3O4/c1-27-21-7-2-4-16(28-21)12-13-33-17-10-8-15(9-11-17)14-20(24(31)32)29-23(30)22-18(25)5-3-6-19(22)26/h2-11,20H,12-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion |
Bioorg Med Chem Lett 22: 4111-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.063
BindingDB Entry DOI: 10.7270/Q26W9C3R |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50383786
(CHEMBL2030807)Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)n1 |r| Show InChI InChI=1S/C24H23Cl2N3O4/c1-27-21-7-2-4-16(28-21)12-13-33-17-10-8-15(9-11-17)14-20(24(31)32)29-23(30)22-18(25)5-3-6-19(22)26/h2-11,20H,12-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Antagonist activity at integrin alphavbeta3 in human A375M cells assessed as inhibition of cell adhesion to fibrinogen in presence of Mg2+ |
Bioorg Med Chem Lett 22: 4111-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.063
BindingDB Entry DOI: 10.7270/Q26W9C3R |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50383783
(CHEMBL2030811)Show SMILES CNc1cccc(CCOc2ccc(C[C@H](NC(=O)C3CCCCC3C)C(O)=O)cc2)n1 |r| Show InChI InChI=1S/C25H33N3O4/c1-17-6-3-4-8-21(17)24(29)28-22(25(30)31)16-18-10-12-20(13-11-18)32-15-14-19-7-5-9-23(26-2)27-19/h5,7,9-13,17,21-22H,3-4,6,8,14-16H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/t17?,21?,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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
Binding affinity to integrin alpha5beta1 |
Bioorg Med Chem Lett 22: 4117-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.061
BindingDB Entry DOI: 10.7270/Q2M61M8P |
More data for this
Ligand-Target Pair | |
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