Found 27 hits of Enzyme Inhibition Constant Data 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 |
|---|
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50201227
(4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(C#CCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H27Cl2N5O2/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/h12-15,17H,5,7-11H2,1-3H3,(H,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 | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src activity |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50201234
(4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxy-7-...)Show SMILES COc1cc(Nc2c(cnc3cc(C#CCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H24Cl2N4O3/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/h11-14,16H,4,6-10H2,1-2H3,(H,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 | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src activity |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50201230
(4-(2,4-dichloro-5-methoxyphenylamino)-6-ethoxy-7-(...)Show SMILES CCOc1cc2c(Nc3cc(OC)c(Cl)cc3Cl)c(cnc2cc1C#CCCN1CCN(C)CC1)C#N Show InChI InChI=1S/C28H29Cl2N5O2/c1-4-37-26-14-21-24(13-19(26)7-5-6-8-35-11-9-34(2)10-12-35)32-18-20(17-31)28(21)33-25-16-27(36-3)23(30)15-22(25)29/h13-16,18H,4,6,8-12H2,1-3H3,(H,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src activity |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50201232
(4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-(dimeth...)Show SMILES COc1cc(Nc2c(cnc3cc(C#CCCN(C)C)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C24H22Cl2N4O2/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/h9-12,14H,6,8H2,1-4H3,(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src activity |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50201226
(4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxy-7-...)Show SMILES COc1cc(Nc2c(cnc3cc(C#CCCN4CCNCC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H25Cl2N5O2/c1-34-24-12-19-22(11-17(24)5-3-4-8-33-9-6-30-7-10-33)31-16-18(15-29)26(19)32-23-14-25(35-2)21(28)13-20(23)27/h11-14,16,30H,4,6-10H2,1-2H3,(H,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 | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src activity |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50201236
(4-(2,4-dichlorophenylamino)-6-methoxy-7-(4-(4-meth...)Show SMILES COc1cc2c(Nc3ccc(Cl)cc3Cl)c(cnc2cc1C#CCCN1CCN(C)CC1)C#N Show InChI InChI=1S/C26H25Cl2N5O/c1-32-9-11-33(12-10-32)8-4-3-5-18-13-24-21(15-25(18)34-2)26(19(16-29)17-30-24)31-23-7-6-20(27)14-22(23)28/h6-7,13-15,17H,4,8-12H2,1-2H3,(H,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 | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src activity |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50201229
(4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxy-7-...)Show SMILES COc1cc(Nc2c(cnc3cc(C#CCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H25Cl2N5O2/c1-32-7-9-33(10-8-32)6-4-5-17-11-22-19(12-24(17)34-2)26(18(15-29)16-30-22)31-23-14-25(35-3)21(28)13-20(23)27/h11-14,16H,6-10H2,1-3H3,(H,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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src activity |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50201228
(6-methoxy-7-(4-(4-methylpiperazin-1-yl)but-1-ynyl)...)Show SMILES COc1cc2c(Nc3cc(OC)c(OC)c(OC)c3)c(cnc2cc1C#CCCN1CCN(C)CC1)C#N Show InChI InChI=1S/C29H33N5O4/c1-33-10-12-34(13-11-33)9-7-6-8-20-14-24-23(17-25(20)35-2)28(21(18-30)19-31-24)32-22-15-26(36-3)29(38-5)27(16-22)37-4/h14-17,19H,7,9-13H2,1-5H3,(H,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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src activity |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50201233
(4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-(4-meth...)Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)C#CCCN2CCN(C)CC2)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-32-9-11-33(12-10-32)8-4-3-5-18-6-7-20-23(13-18)30-17-19(16-29)26(20)31-24-15-25(34-2)22(28)14-21(24)27/h6-7,13-15,17H,4,8-12H2,1-2H3,(H,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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src activity |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Rattus norvegicus) | BDBM50201227
(4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(C#CCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H27Cl2N5O2/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/h12-15,17H,5,7-11H2,1-3H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src in rat fibroblasts |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Rattus norvegicus) | BDBM50201230
(4-(2,4-dichloro-5-methoxyphenylamino)-6-ethoxy-7-(...)Show SMILES CCOc1cc2c(Nc3cc(OC)c(Cl)cc3Cl)c(cnc2cc1C#CCCN1CCN(C)CC1)C#N Show InChI InChI=1S/C28H29Cl2N5O2/c1-4-37-26-14-21-24(13-19(26)7-5-6-8-35-11-9-34(2)10-12-35)32-18-20(17-31)28(21)33-25-16-27(36-3)23(30)15-22(25)29/h13-16,18H,4,6,8-12H2,1-3H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 Src in rat fibroblasts |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Rattus norvegicus) | BDBM50201234
(4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxy-7-...)Show SMILES COc1cc(Nc2c(cnc3cc(C#CCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H24Cl2N4O3/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/h11-14,16H,4,6-10H2,1-2H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src in rat fibroblasts |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50201235
(7-(4-(4-methylpiperazin-1-yl)but-1-ynyl)-4-(3,4,5-...)Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)C#CCCN2CCN(C)CC2)C#N)cc(OC)c1OC Show InChI InChI=1S/C28H31N5O3/c1-32-11-13-33(14-12-32)10-6-5-7-20-8-9-23-24(15-20)30-19-21(18-29)27(23)31-22-16-25(34-2)28(36-4)26(17-22)35-3/h8-9,15-17,19H,6,10-14H2,1-4H3,(H,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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src activity |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50201231
(4-(2,4-dichloro-5-methoxyphenylamino)-6-(4-(4-meth...)Show SMILES COc1cc(Nc2c(cnc3ccc(cc23)C#CCCN2CCN(C)CC2)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-32-9-11-33(12-10-32)8-4-3-5-18-6-7-23-20(13-18)26(19(16-29)17-30-23)31-24-15-25(34-2)22(28)14-21(24)27/h6-7,13-15,17H,4,8-12H2,1-2H3,(H,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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src activity |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Rattus norvegicus) | BDBM50201232
(4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-(dimeth...)Show SMILES COc1cc(Nc2c(cnc3cc(C#CCCN(C)C)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C24H22Cl2N4O2/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/h9-12,14H,6,8H2,1-4H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src in rat fibroblasts |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Rattus norvegicus) | BDBM50201236
(4-(2,4-dichlorophenylamino)-6-methoxy-7-(4-(4-meth...)Show SMILES COc1cc2c(Nc3ccc(Cl)cc3Cl)c(cnc2cc1C#CCCN1CCN(C)CC1)C#N Show InChI InChI=1S/C26H25Cl2N5O/c1-32-9-11-33(12-10-32)8-4-3-5-18-13-24-21(15-25(18)34-2)26(19(16-29)17-30-24)31-23-7-6-20(27)14-22(23)28/h6-7,13-15,17H,4,8-12H2,1-2H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src in rat fibroblasts |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Rattus norvegicus) | BDBM50201226
(4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxy-7-...)Show SMILES COc1cc(Nc2c(cnc3cc(C#CCCN4CCNCC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H25Cl2N5O2/c1-34-24-12-19-22(11-17(24)5-3-4-8-33-9-6-30-7-10-33)31-16-18(15-29)26(19)32-23-14-25(35-2)21(28)13-20(23)27/h11-14,16,30H,4,6-10H2,1-2H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src in rat fibroblasts |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Rattus norvegicus) | BDBM50201228
(6-methoxy-7-(4-(4-methylpiperazin-1-yl)but-1-ynyl)...)Show SMILES COc1cc2c(Nc3cc(OC)c(OC)c(OC)c3)c(cnc2cc1C#CCCN1CCN(C)CC1)C#N Show InChI InChI=1S/C29H33N5O4/c1-33-10-12-34(13-11-33)9-7-6-8-20-14-24-23(17-25(20)35-2)28(21(18-30)19-31-24)32-22-15-26(36-3)29(38-5)27(16-22)37-4/h14-17,19H,7,9-13H2,1-5H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src in rat fibroblasts |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50201227
(4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(C#CCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H27Cl2N5O2/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/h12-15,17H,5,7-11H2,1-3H3,(H,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 | 720 | 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 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Rattus norvegicus) | BDBM50201229
(4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxy-7-...)Show SMILES COc1cc(Nc2c(cnc3cc(C#CCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H25Cl2N5O2/c1-32-7-9-33(10-8-32)6-4-5-17-11-22-19(12-24(17)34-2)26(18(15-29)16-30-22)31-23-14-25(35-3)21(28)13-20(23)27/h11-14,16H,6-10H2,1-3H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src in rat fibroblasts |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Rattus norvegicus) | BDBM50201233
(4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-(4-meth...)Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)C#CCCN2CCN(C)CC2)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-32-9-11-33(12-10-32)8-4-3-5-18-6-7-20-23(13-18)30-17-19(16-29)26(20)31-24-15-25(34-2)22(28)14-21(24)27/h6-7,13-15,17H,4,8-12H2,1-2H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src in rat fibroblasts |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Rattus norvegicus) | BDBM50201235
(7-(4-(4-methylpiperazin-1-yl)but-1-ynyl)-4-(3,4,5-...)Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)C#CCCN2CCN(C)CC2)C#N)cc(OC)c1OC Show InChI InChI=1S/C28H31N5O3/c1-32-11-13-33(14-12-32)10-6-5-7-20-8-9-23-24(15-20)30-19-21(18-29)27(23)31-22-16-25(34-2)28(36-4)26(17-22)35-3/h8-9,15-17,19H,6,10-14H2,1-4H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src in rat fibroblasts |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Rattus norvegicus) | BDBM50201231
(4-(2,4-dichloro-5-methoxyphenylamino)-6-(4-(4-meth...)Show SMILES COc1cc(Nc2c(cnc3ccc(cc23)C#CCCN2CCN(C)CC2)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-32-9-11-33(12-10-32)8-4-3-5-18-6-7-23-20(13-18)26(19(16-29)17-30-23)31-24-15-25(34-2)22(28)14-21(24)27/h6-7,13-15,17H,4,8-12H2,1-2H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Src in rat fibroblasts |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50201227
(4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(C#CCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H27Cl2N5O2/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/h12-15,17H,5,7-11H2,1-3H3,(H,31,32) | 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 | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50201227
(4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(C#CCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H27Cl2N5O2/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/h12-15,17H,5,7-11H2,1-3H3,(H,31,32) | 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 | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of CDK4 |
Bioorg Med Chem Lett 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50201227
(4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(C#CCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H27Cl2N5O2/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/h12-15,17H,5,7-11H2,1-3H3,(H,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | 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 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50201227
(4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(C#CCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H27Cl2N5O2/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/h12-15,17H,5,7-11H2,1-3H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | 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 17: 1358-61 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.077
BindingDB Entry DOI: 10.7270/Q2SJ1K7T |
More data for this
Ligand-Target Pair | |
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