Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50031686 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 |
|---|
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50317233
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H29Cl2N5O2/c1-33-8-10-34(11-9-33)7-5-4-6-18-12-23-20(13-25(18)35-2)27(19(16-30)17-31-23)32-24-15-26(36-3)22(29)14-21(24)28/h4,6,12-15,17H,5,7-11H2,1-3H3,(H,31,32)/b6-4+ | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317227
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-(4-...)Show SMILES CCN1CCN(CC\C=C\c2cc3ncc(C#N)c(Nc4cc(OC)c(Cl)cc4Cl)c3cc2OC)CC1 Show InChI InChI=1S/C28H31Cl2N5O2/c1-4-34-9-11-35(12-10-34)8-6-5-7-19-13-24-21(14-26(19)36-2)28(20(17-31)18-32-24)33-25-16-27(37-3)23(30)15-22(25)29/h5,7,13-16,18H,4,6,8-12H2,1-3H3,(H,32,33)/b7-5+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317233
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H29Cl2N5O2/c1-33-8-10-34(11-9-33)7-5-4-6-18-12-23-20(13-25(18)35-2)27(19(16-30)17-31-23)32-24-15-26(36-3)22(29)14-21(24)28/h4,6,12-15,17H,5,7-11H2,1-3H3,(H,31,32)/b6-4+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317229
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(2-(5-...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4ccc(CN(C)C)cn4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C28H25Cl2N5O2/c1-35(2)16-17-5-7-20(32-14-17)8-6-18-9-24-21(10-26(18)36-3)28(19(13-31)15-33-24)34-25-12-27(37-4)23(30)11-22(25)29/h5-12,14-15H,16H2,1-4H3,(H,33,34)/b8-6+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317230
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(2-(6-...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4cccc(CN(C)C)n4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C28H25Cl2N5O2/c1-35(2)16-20-7-5-6-19(33-20)9-8-17-10-24-21(11-26(17)36-3)28(18(14-31)15-32-24)34-25-13-27(37-4)23(30)12-22(25)29/h5-13,15H,16H2,1-4H3,(H,32,34)/b9-8+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317231
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-((d...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4ccc(CN(C)C)cc4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C29H26Cl2N4O2/c1-35(2)17-19-7-5-18(6-8-19)9-10-20-11-25-22(12-27(20)36-3)29(21(15-32)16-33-25)34-26-14-28(37-4)24(31)13-23(26)30/h5-14,16H,17H2,1-4H3,(H,33,34)/b10-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317243
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-(di...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN(C)C)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C24H24Cl2N4O2/c1-30(2)8-6-5-7-15-9-20-17(10-22(15)31-3)24(16(13-27)14-28-20)29-21-12-23(32-4)19(26)11-18(21)25/h5,7,9-12,14H,6,8H2,1-4H3,(H,28,29)/b7-5+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317244
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCCCC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H28Cl2N4O2/c1-34-25-13-20-23(12-18(25)8-4-7-11-33-9-5-3-6-10-33)31-17-19(16-30)27(20)32-24-15-26(35-2)22(29)14-21(24)28/h4,8,12-15,17H,3,5-7,9-11H2,1-2H3,(H,31,32)/b8-4+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317232
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(3-((d...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4cccc(CN(C)C)c4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C29H26Cl2N4O2/c1-35(2)17-19-7-5-6-18(10-19)8-9-20-11-25-22(12-27(20)36-3)29(21(15-32)16-33-25)34-26-14-28(37-4)24(31)13-23(26)30/h5-14,16H,17H2,1-4H3,(H,33,34)/b9-8+ | 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM4552
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) | 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
Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317235
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H26Cl2N4O3/c1-33-24-12-19-22(11-17(24)5-3-4-6-32-7-9-35-10-8-32)30-16-18(15-29)26(19)31-23-14-25(34-2)21(28)13-20(23)27/h3,5,11-14,16H,4,6-10H2,1-2H3,(H,30,31)/b5-3+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317236
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H28Cl2N4O3/c1-34-25-13-20-23(12-18(25)6-4-3-5-7-33-8-10-36-11-9-33)31-17-19(16-30)27(20)32-24-15-26(35-2)22(29)14-21(24)28/h4,6,12-15,17H,3,5,7-11H2,1-2H3,(H,31,32)/b6-4+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317228
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(2-(4-...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4cc(CN(C)C)ccn4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C28H25Cl2N5O2/c1-35(2)16-17-7-8-32-20(9-17)6-5-18-10-24-21(11-26(18)36-3)28(19(14-31)15-33-24)34-25-13-27(37-4)23(30)12-22(25)29/h5-13,15H,16H2,1-4H3,(H,33,34)/b6-5+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317234
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C25H24Cl2N4O3/c1-32-23-11-18-21(10-16(23)4-3-5-31-6-8-34-9-7-31)29-15-17(14-28)25(18)30-22-13-24(33-2)20(27)12-19(22)26/h3-4,10-13,15H,5-9H2,1-2H3,(H,29,30)/b4-3+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317239
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-mor...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCOCC4)ccc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C25H24Cl2N4O2/c1-32-24-14-23(20(26)13-21(24)27)30-25-18(15-28)16-29-22-12-17(5-6-19(22)25)4-2-3-7-31-8-10-33-11-9-31/h2,4-6,12-14,16H,3,7-11H2,1H3,(H,29,30)/b4-2+ | PDB
MMDB
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 |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317237
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C28H30Cl2N4O3/c1-35-26-14-21-24(13-19(26)7-5-3-4-6-8-34-9-11-37-12-10-34)32-18-20(17-31)28(21)33-25-16-27(36-2)23(30)15-22(25)29/h5,7,13-16,18H,3-4,6,8-12H2,1-2H3,(H,32,33)/b7-5+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317230
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(2-(6-...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4cccc(CN(C)C)n4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C28H25Cl2N5O2/c1-35(2)16-20-7-5-6-19(33-20)9-8-17-10-24-21(11-26(17)36-3)28(18(14-31)15-32-24)34-25-13-27(37-4)23(30)12-22(25)29/h5-13,15H,16H2,1-4H3,(H,32,34)/b9-8+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317231
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-((d...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4ccc(CN(C)C)cc4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C29H26Cl2N4O2/c1-35(2)17-19-7-5-18(6-8-19)9-10-20-11-25-22(12-27(20)36-3)29(21(15-32)16-33-25)34-26-14-28(37-4)24(31)13-23(26)30/h5-14,16H,17H2,1-4H3,(H,33,34)/b10-9+ | PDB
MMDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317240
((E)-4-(2,4-dichlorophenylamino)-7-(4-morpholinobut...)Show SMILES Clc1ccc(Nc2c(cnc3cc(\C=C\CCN4CCOCC4)ccc23)C#N)c(Cl)c1 Show InChI InChI=1S/C24H22Cl2N4O/c25-19-5-7-22(21(26)14-19)29-24-18(15-27)16-28-23-13-17(4-6-20(23)24)3-1-2-8-30-9-11-31-12-10-30/h1,3-7,13-14,16H,2,8-12H2,(H,28,29)/b3-1+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317229
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(2-(5-...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4ccc(CN(C)C)cn4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C28H25Cl2N5O2/c1-35(2)16-17-5-7-20(32-14-17)8-6-18-9-24-21(10-26(18)36-3)28(19(13-31)15-33-24)34-25-12-27(37-4)23(30)11-22(25)29/h5-12,14-15H,16H2,1-4H3,(H,33,34)/b8-6+ | PDB
MMDB
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UniProtKB/SwissProt
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DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317233
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H29Cl2N5O2/c1-33-8-10-34(11-9-33)7-5-4-6-18-12-23-20(13-25(18)35-2)27(19(16-30)17-31-23)32-24-15-26(36-3)22(29)14-21(24)28/h4,6,12-15,17H,5,7-11H2,1-3H3,(H,31,32)/b6-4+ | PDB
MMDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317243
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-(di...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN(C)C)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C24H24Cl2N4O2/c1-30(2)8-6-5-7-15-9-20-17(10-22(15)31-3)24(16(13-27)14-28-20)29-21-12-23(32-4)19(26)11-18(21)25/h5,7,9-12,14H,6,8H2,1-4H3,(H,28,29)/b7-5+ | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317227
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-(4-...)Show SMILES CCN1CCN(CC\C=C\c2cc3ncc(C#N)c(Nc4cc(OC)c(Cl)cc4Cl)c3cc2OC)CC1 Show InChI InChI=1S/C28H31Cl2N5O2/c1-4-34-9-11-35(12-10-34)8-6-5-7-19-13-24-21(14-26(19)36-2)28(20(17-31)18-32-24)33-25-16-27(37-3)23(30)15-22(25)29/h5,7,13-16,18H,4,6,8-12H2,1-3H3,(H,32,33)/b7-5+ | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317244
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCCCC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H28Cl2N4O2/c1-34-25-13-20-23(12-18(25)8-4-7-11-33-9-5-3-6-10-33)31-17-19(16-30)27(20)32-24-15-26(35-2)22(29)14-21(24)28/h4,8,12-15,17H,3,5-7,9-11H2,1-2H3,(H,31,32)/b8-4+ | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM4552
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) | PDB
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MCE
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PC sid
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Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317232
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(3-((d...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4cccc(CN(C)C)c4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C29H26Cl2N4O2/c1-35(2)17-19-7-5-6-18(10-19)8-9-20-11-25-22(12-27(20)36-3)29(21(15-32)16-33-25)34-26-14-28(37-4)24(31)13-23(26)30/h5-14,16H,17H2,1-4H3,(H,33,34)/b9-8+ | PDB
MMDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317238
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCCCCCCCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C33H40Cl2N4O3/c1-40-31-19-26-29(37-23-25(22-36)33(26)38-30-21-32(41-2)28(35)20-27(30)34)18-24(31)12-10-8-6-4-3-5-7-9-11-13-39-14-16-42-17-15-39/h10,12,18-21,23H,3-9,11,13-17H2,1-2H3,(H,37,38)/b12-10+ | PDB
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PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317235
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H26Cl2N4O3/c1-33-24-12-19-22(11-17(24)5-3-4-6-32-7-9-35-10-8-32)30-16-18(15-29)26(19)31-23-14-25(34-2)21(28)13-20(23)27/h3,5,11-14,16H,4,6-10H2,1-2H3,(H,30,31)/b5-3+ | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317234
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C25H24Cl2N4O3/c1-32-23-11-18-21(10-16(23)4-3-5-31-6-8-34-9-7-31)29-15-17(14-28)25(18)30-22-13-24(33-2)20(27)12-19(22)26/h3-4,10-13,15H,5-9H2,1-2H3,(H,29,30)/b4-3+ | PDB
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PC sid
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PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317228
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(2-(4-...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4cc(CN(C)C)ccn4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C28H25Cl2N5O2/c1-35(2)16-17-7-8-32-20(9-17)6-5-18-10-24-21(11-26(18)36-3)28(19(14-31)15-33-24)34-25-13-27(37-4)23(30)12-22(25)29/h5-13,15H,16H2,1-4H3,(H,33,34)/b6-5+ | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317237
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C28H30Cl2N4O3/c1-35-26-14-21-24(13-19(26)7-5-3-4-6-8-34-9-11-37-12-10-34)32-18-20(17-31)28(21)33-25-16-27(36-2)23(30)15-22(25)29/h5,7,13-16,18H,3-4,6,8-12H2,1-2H3,(H,32,33)/b7-5+ | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317241
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-(4-mor...)Show SMILES COc1cc(Nc2c(cnc3ccc(\C=C\CCN4CCOCC4)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C25H24Cl2N4O2/c1-32-24-14-23(20(26)13-21(24)27)30-25-18(15-28)16-29-22-6-5-17(12-19(22)25)4-2-3-7-31-8-10-33-11-9-31/h2,4-6,12-14,16H,3,7-11H2,1H3,(H,29,30)/b4-2+ | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317236
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H28Cl2N4O3/c1-34-25-13-20-23(12-18(25)6-4-3-5-7-33-8-10-36-11-9-33)31-17-19(16-30)27(20)32-24-15-26(35-2)22(29)14-21(24)28/h4,6,12-15,17H,3,5,7-11H2,1-2H3,(H,31,32)/b6-4+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317239
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-mor...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCOCC4)ccc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C25H24Cl2N4O2/c1-32-24-14-23(20(26)13-21(24)27)30-25-18(15-28)16-29-22-12-17(5-6-19(22)25)4-2-3-7-31-8-10-33-11-9-31/h2,4-6,12-14,16H,3,7-11H2,1H3,(H,29,30)/b4-2+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317242
((E)-4-(2,4-dichlorophenylamino)-6-(4-morpholinobut...)Show SMILES Clc1ccc(Nc2c(cnc3ccc(\C=C\CCN4CCOCC4)cc23)C#N)c(Cl)c1 Show InChI InChI=1S/C24H22Cl2N4O/c25-19-5-7-23(21(26)14-19)29-24-18(15-27)16-28-22-6-4-17(13-20(22)24)3-1-2-8-30-9-11-31-12-10-30/h1,3-7,13-14,16H,2,8-12H2,(H,28,29)/b3-1+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Src after 70 mins by FRET assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317240
((E)-4-(2,4-dichlorophenylamino)-7-(4-morpholinobut...)Show SMILES Clc1ccc(Nc2c(cnc3cc(\C=C\CCN4CCOCC4)ccc23)C#N)c(Cl)c1 Show InChI InChI=1S/C24H22Cl2N4O/c25-19-5-7-22(21(26)14-19)29-24-18(15-27)16-28-23-13-17(4-6-20(23)24)3-1-2-8-30-9-11-31-12-10-30/h1,3-7,13-14,16H,2,8-12H2,(H,28,29)/b3-1+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50317238
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCCCCCCCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C33H40Cl2N4O3/c1-40-31-19-26-29(37-23-25(22-36)33(26)38-30-21-32(41-2)28(35)20-27(30)34)18-24(31)12-10-8-6-4-3-5-7-9-11-13-39-14-16-42-17-15-39/h10,12,18-21,23H,3-9,11,13-17H2,1-2H3,(H,37,38)/b12-10+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50317233
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H29Cl2N5O2/c1-33-8-10-34(11-9-33)7-5-4-6-18-12-23-20(13-25(18)35-2)27(19(16-30)17-31-23)32-24-15-26(36-3)22(29)14-21(24)28/h4,6,12-15,17H,5,7-11H2,1-3H3,(H,31,32)/b6-4+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50317233
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H29Cl2N5O2/c1-33-8-10-34(11-9-33)7-5-4-6-18-12-23-20(13-25(18)35-2)27(19(16-30)17-31-23)32-24-15-26(36-3)22(29)14-21(24)28/h4,6,12-15,17H,5,7-11H2,1-3H3,(H,31,32)/b6-4+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of AKT |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM50317233
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H29Cl2N5O2/c1-33-8-10-34(11-9-33)7-5-4-6-18-12-23-20(13-25(18)35-2)27(19(16-30)17-31-23)32-24-15-26(36-3)22(29)14-21(24)28/h4,6,12-15,17H,5,7-11H2,1-3H3,(H,31,32)/b6-4+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of TPL2 |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50317233
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H29Cl2N5O2/c1-33-8-10-34(11-9-33)7-5-4-6-18-12-23-20(13-25(18)35-2)27(19(16-30)17-31-23)32-24-15-26(36-3)22(29)14-21(24)28/h4,6,12-15,17H,5,7-11H2,1-3H3,(H,31,32)/b6-4+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50317233
((E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox...)Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H29Cl2N5O2/c1-33-8-10-34(11-9-33)7-5-4-6-18-12-23-20(13-25(18)35-2)27(19(16-30)17-31-23)32-24-15-26(36-3)22(29)14-21(24)28/h4,6,12-15,17H,5,7-11H2,1-3H3,(H,31,32)/b6-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.025
BindingDB Entry DOI: 10.7270/Q2J38SR1 |
More data for this
Ligand-Target Pair | |
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