Found 347 hits with Last Name = 'yee' and Initial = 's' 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)) | BDBM50376901
(CHEMBL256101 | TG-100855)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCC[N+]4([O-])CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O2/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)35-14-13-33(34)11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.04 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl by luminescence based kinase assay |
Drug Metab Dispos 35: 929-36 (2007)
Article DOI: 10.1124/dmd.106.014290
BindingDB Entry DOI: 10.7270/Q2CV4JMV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50376901
(CHEMBL256101 | TG-100855)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCC[N+]4([O-])CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O2/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)35-14-13-33(34)11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lyn by luminescence based kinase assay |
Drug Metab Dispos 35: 929-36 (2007)
Article DOI: 10.1124/dmd.106.014290
BindingDB Entry DOI: 10.7270/Q2CV4JMV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50376901
(CHEMBL256101 | TG-100855)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCC[N+]4([O-])CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O2/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)35-14-13-33(34)11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Yes by luminescence based kinase assay |
Drug Metab Dispos 35: 929-36 (2007)
Article DOI: 10.1124/dmd.106.014290
BindingDB Entry DOI: 10.7270/Q2CV4JMV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50376901
(CHEMBL256101 | TG-100855)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCC[N+]4([O-])CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O2/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)35-14-13-33(34)11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src by luminescence based kinase assay |
Drug Metab Dispos 35: 929-36 (2007)
Article DOI: 10.1124/dmd.106.014290
BindingDB Entry DOI: 10.7270/Q2CV4JMV |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50376901
(CHEMBL256101 | TG-100855)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCC[N+]4([O-])CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O2/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)35-14-13-33(34)11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of EphB4 by luminescence based kinase assay |
Drug Metab Dispos 35: 929-36 (2007)
Article DOI: 10.1124/dmd.106.014290
BindingDB Entry DOI: 10.7270/Q2CV4JMV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50376901
(CHEMBL256101 | TG-100855)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCC[N+]4([O-])CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O2/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)35-14-13-33(34)11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck by luminescence based kinase assay |
Drug Metab Dispos 35: 929-36 (2007)
Article DOI: 10.1124/dmd.106.014290
BindingDB Entry DOI: 10.7270/Q2CV4JMV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Yes by luminescence based kinase assay |
Drug Metab Dispos 35: 929-36 (2007)
Article DOI: 10.1124/dmd.106.014290
BindingDB Entry DOI: 10.7270/Q2CV4JMV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Yes kinase |
Bioorg Med Chem Lett 17: 602-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.006
BindingDB Entry DOI: 10.7270/Q29024MW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 19.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl by luminescence based kinase assay |
Drug Metab Dispos 35: 929-36 (2007)
Article DOI: 10.1124/dmd.106.014290
BindingDB Entry DOI: 10.7270/Q2CV4JMV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 19.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Abl kinase |
Bioorg Med Chem Lett 17: 602-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.006
BindingDB Entry DOI: 10.7270/Q29024MW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 25.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lyn |
Bioorg Med Chem Lett 17: 602-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.006
BindingDB Entry DOI: 10.7270/Q29024MW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 25.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lyn by luminescence based kinase assay |
Drug Metab Dispos 35: 929-36 (2007)
Article DOI: 10.1124/dmd.106.014290
BindingDB Entry DOI: 10.7270/Q2CV4JMV |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 28.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src |
Bioorg Med Chem Lett 17: 602-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.006
BindingDB Entry DOI: 10.7270/Q29024MW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 28.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src by luminescence based kinase assay |
Drug Metab Dispos 35: 929-36 (2007)
Article DOI: 10.1124/dmd.106.014290
BindingDB Entry DOI: 10.7270/Q2CV4JMV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 29.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 602-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.006
BindingDB Entry DOI: 10.7270/Q29024MW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 29.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Lck by luminescence based kinase assay |
Drug Metab Dispos 35: 929-36 (2007)
Article DOI: 10.1124/dmd.106.014290
BindingDB Entry DOI: 10.7270/Q2CV4JMV |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 63.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of EphB4 by luminescence based kinase assay |
Drug Metab Dispos 35: 929-36 (2007)
Article DOI: 10.1124/dmd.106.014290
BindingDB Entry DOI: 10.7270/Q2CV4JMV |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 4
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 63.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of EphB4 |
Bioorg Med Chem Lett 17: 602-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.006
BindingDB Entry DOI: 10.7270/Q29024MW |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Ret |
Bioorg Med Chem Lett 17: 602-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.006
BindingDB Entry DOI: 10.7270/Q29024MW |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 2
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | 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
| 493 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FGFR2 |
Bioorg Med Chem Lett 17: 602-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.006
BindingDB Entry DOI: 10.7270/Q29024MW |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | 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
| 784 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 |
Bioorg Med Chem Lett 17: 602-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.006
BindingDB Entry DOI: 10.7270/Q29024MW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50198782
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32) | 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
| 2.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRbeta |
Bioorg Med Chem Lett 17: 602-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.006
BindingDB Entry DOI: 10.7270/Q29024MW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50221566
(4-chloro-3-(5-methyl-3-(4-(2-(pyrrolidin-1-yl)etho...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C26H26ClN5O2/c1-17-14-18(22-16-20(33)6-9-23(22)27)15-24-25(17)29-26(31-30-24)28-19-4-7-21(8-5-19)34-13-12-32-10-2-3-11-32/h4-9,14-16,33H,2-3,10-13H2,1H3,(H,28,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
TargeGen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of YES |
J Med Chem 51: 1546-59 (2008)
Article DOI: 10.1021/jm7011276
BindingDB Entry DOI: 10.7270/Q2NV9K3X |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091288
(CHEMBL3582227)Show SMILES Cn1cc(cn1)-c1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C26H26N6/c1-31-17-21(14-29-31)24-12-22-23-11-20(13-28-26(23)30-25(22)15-27-24)19-7-5-18(6-8-19)16-32-9-3-2-4-10-32/h5-8,11-15,17H,2-4,9-10,16H2,1H3,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091302
(CHEMBL3582223)Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cnco1 Show InChI InChI=1S/C25H23N5O/c1-2-8-30(9-3-1)15-17-4-6-18(7-5-17)19-10-21-20-11-22(24-14-26-16-31-24)27-13-23(20)29-25(21)28-12-19/h4-7,10-14,16H,1-3,8-9,15H2,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091309
(CHEMBL3582216)Show SMILES CCN1CCc2sc(cc2C1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N Show InChI InChI=1S/C17H23NO3/c1-10-4-6-11(7-5-10)13-8-12-9-14(19)16(18(12)2)15(13)17(20)21-3/h4-7,12-16,19H,8-9H2,1-3H3/t12-,13?,14?,15?,16?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091287
(CHEMBL3582228)Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cccnc1 Show InChI InChI=1S/C27H25N5/c1-2-11-32(12-3-1)18-19-6-8-20(9-7-19)22-13-24-23-14-25(21-5-4-10-28-15-21)29-17-26(23)31-27(24)30-16-22/h4-10,13-17H,1-3,11-12,18H2,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091300
(CHEMBL3582225)Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1nnco1 Show InChI InChI=1S/C24H22N6O/c1-2-8-30(9-3-1)14-16-4-6-17(7-5-16)18-10-20-19-11-21(24-29-27-15-31-24)25-13-22(19)28-23(20)26-12-18/h4-7,10-13,15H,1-3,8-9,14H2,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091293
(CHEMBL3582201)Show SMILES N#Cc1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C23H21N5/c24-12-19-11-20-21-10-18(13-26-23(21)27-22(20)14-25-19)17-6-4-16(5-7-17)15-28-8-2-1-3-9-28/h4-7,10-11,13-14H,1-3,8-9,15H2,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091289
(CHEMBL3582226)Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cnoc1 Show InChI InChI=1S/C25H23N5O/c1-2-8-30(9-3-1)15-17-4-6-18(7-5-17)19-10-22-21-11-23(20-13-28-31-16-20)26-14-24(21)29-25(22)27-12-19/h4-7,10-14,16H,1-3,8-9,15H2,(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50193874
(7-(2,6-dimethylphenyl)-5-methyl-N-(4-(2-(pyrrolidi...)Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1 Show InChI InChI=1S/C28H31N5O/c1-19-7-6-8-20(2)26(19)22-17-21(3)27-25(18-22)31-32-28(30-27)29-23-9-11-24(12-10-23)34-16-15-33-13-4-5-14-33/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,29,30,32) | PDB
MMDB
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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of YES |
J Med Chem 51: 1546-59 (2008)
Article DOI: 10.1021/jm7011276
BindingDB Entry DOI: 10.7270/Q2NV9K3X |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50221553
(4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C26H27ClN6O3S/c1-17-14-18(22-16-20(34)6-9-23(22)27)15-24-25(17)30-26(32-31-24)29-19-4-7-21(8-5-19)37(35,36)28-10-13-33-11-2-3-12-33/h4-9,14-16,28,34H,2-3,10-13H2,1H3,(H,29,30,32) | PDB
MMDB
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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of YES |
J Med Chem 51: 1546-59 (2008)
Article DOI: 10.1021/jm7011276
BindingDB Entry DOI: 10.7270/Q2NV9K3X |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50035709
(CHEMBL3359895)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N Show InChI InChI=1S/C22H20N6/c1-27-6-8-28(9-7-27)18-4-2-15(3-5-18)16-10-20-19-11-17(12-23)24-14-21(19)26-22(20)25-13-16/h2-5,10-11,13-14H,6-9H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091301
(CHEMBL3582224)Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cncs1 Show InChI InChI=1S/C25H23N5S/c1-2-8-30(9-3-1)15-17-4-6-18(7-5-17)19-10-21-20-11-22(24-14-26-16-31-24)27-13-23(20)29-25(21)28-12-19/h4-7,10-14,16H,1-3,8-9,15H2,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50221547
(4-chloro-3-(5-methyl-3-(4-(3-(pyrrolidin-1-yl)prop...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(CCCN4CCCC4)cc3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C27H28ClN5O/c1-18-15-20(23-17-22(34)10-11-24(23)28)16-25-26(18)30-27(32-31-25)29-21-8-6-19(7-9-21)5-4-14-33-12-2-3-13-33/h6-11,15-17,34H,2-5,12-14H2,1H3,(H,29,30,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src |
J Med Chem 51: 1546-59 (2008)
Article DOI: 10.1021/jm7011276
BindingDB Entry DOI: 10.7270/Q2NV9K3X |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50221556
(4-chloro-3-(5-methyl-3-(4-(piperidin-4-ylsulfonyl)...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)C3CCNCC3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C25H24ClN5O3S/c1-15-12-16(21-14-18(32)4-7-22(21)26)13-23-24(15)29-25(31-30-23)28-17-2-5-19(6-3-17)35(33,34)20-8-10-27-11-9-20/h2-7,12-14,20,27,32H,8-11H2,1H3,(H,28,29,31) | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 |
J Med Chem 51: 1546-59 (2008)
Article DOI: 10.1021/jm7011276
BindingDB Entry DOI: 10.7270/Q2NV9K3X |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50221566
(4-chloro-3-(5-methyl-3-(4-(2-(pyrrolidin-1-yl)etho...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C26H26ClN5O2/c1-17-14-18(22-16-20(33)6-9-23(22)27)15-24-25(17)29-26(31-30-24)28-19-4-7-21(8-5-19)34-13-12-32-10-2-3-11-32/h4-9,14-16,33H,2-3,10-13H2,1H3,(H,28,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src |
J Med Chem 51: 1546-59 (2008)
Article DOI: 10.1021/jm7011276
BindingDB Entry DOI: 10.7270/Q2NV9K3X |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091320
(CHEMBL3582207)Show SMILES OC1CCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)CC1 Show InChI InChI=1S/C14H29O19P3/c1-2-3-27-14-12(33-36(24,25)26)9(6(4-15)29-14)30-13-8(17)11(32-35(21,22)23)10(7(5-16)28-13)31-34(18,19)20/h6-17H,2-5H2,1H3,(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)/t6-,7?,8+,9+,10+,11?,12+,13+,14?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091294
(CHEMBL3582200)Show SMILES CN1CCN(CC1)c1cccc(c1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N Show InChI InChI=1S/C22H20N6/c1-27-5-7-28(8-6-27)18-4-2-3-15(9-18)16-10-20-19-11-17(12-23)24-14-21(19)26-22(20)25-13-16/h2-4,9-11,13-14H,5-8H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091319
(CHEMBL3582208)Show SMILES O[C@@H]1CCCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)C1 |r| Show InChI InChI=1S/C12H25O19P3/c1-25-12-10(31-34(22,23)24)7(4(2-13)27-12)28-11-6(15)9(30-33(19,20)21)8(5(3-14)26-11)29-32(16,17)18/h4-15H,2-3H2,1H3,(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t4-,5?,6+,7+,8+,9?,10+,11+,12?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091292
(CHEMBL3582202)Show SMILES C[C@H]1CCC[C@@H](C)N1Cc1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50221566
(4-chloro-3-(5-methyl-3-(4-(2-(pyrrolidin-1-yl)etho...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C26H26ClN5O2/c1-17-14-18(22-16-20(33)6-9-23(22)27)15-24-25(17)29-26(31-30-24)28-19-4-7-21(8-5-19)34-13-12-32-10-2-3-11-32/h4-9,14-16,33H,2-3,10-13H2,1H3,(H,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 |
J Med Chem 51: 1546-59 (2008)
Article DOI: 10.1021/jm7011276
BindingDB Entry DOI: 10.7270/Q2NV9K3X |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091311
(CHEMBL3582215)Show SMILES CCN1CCc2cc(ccc2C1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N Show InChI InChI=1S/C17H23NO3/c1-10-4-6-11(7-5-10)12-8-13-15(19)9-14(18(13)2)16(12)17(20)21-3/h4-7,12-16,19H,8-9H2,1-3H3/t12?,13-,14?,15+,16?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091285
(CHEMBL3582230)Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cnccn1 Show InChI InChI=1S/C26H24N6/c1-2-10-32(11-3-1)17-18-4-6-19(7-5-18)20-12-22-21-13-23(25-15-27-8-9-28-25)29-16-24(21)31-26(22)30-14-20/h4-9,12-16H,1-3,10-11,17H2,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091315
(CHEMBL3582212)Show SMILES N#Cc1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCC3(COC3)CC2)cc1 Show InChI InChI=1S/C17H23NO3/c1-10-4-6-11(7-5-10)12-8-13-15(19)9-14(18(13)2)16(12)17(20)21-3/h4-7,12-16,19H,8-9H2,1-3H3/t12?,13-,14?,15-,16?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50221547
(4-chloro-3-(5-methyl-3-(4-(3-(pyrrolidin-1-yl)prop...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(CCCN4CCCC4)cc3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C27H28ClN5O/c1-18-15-20(23-17-22(34)10-11-24(23)28)16-25-26(18)30-27(32-31-25)29-21-8-6-19(7-9-21)5-4-14-33-12-2-3-13-33/h6-11,15-17,34H,2-5,12-14H2,1H3,(H,29,30,32) | 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 | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 |
J Med Chem 51: 1546-59 (2008)
Article DOI: 10.1021/jm7011276
BindingDB Entry DOI: 10.7270/Q2NV9K3X |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091284
(CHEMBL3582231)Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1ccnnc1 Show InChI InChI=1S/C26H24N6/c1-2-10-32(11-3-1)17-18-4-6-19(7-5-18)21-12-23-22-13-24(20-8-9-29-30-15-20)27-16-25(22)31-26(23)28-14-21/h4-9,12-16H,1-3,10-11,17H2,(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50221553
(4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C26H27ClN6O3S/c1-17-14-18(22-16-20(34)6-9-23(22)27)15-24-25(17)30-26(32-31-24)29-19-4-7-21(8-5-19)37(35,36)28-10-13-33-11-2-3-12-33/h4-9,14-16,28,34H,2-3,10-13H2,1H3,(H,29,30,32) | 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 | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src |
J Med Chem 51: 1546-59 (2008)
Article DOI: 10.1021/jm7011276
BindingDB Entry DOI: 10.7270/Q2NV9K3X |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50221563
((4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)C(=O)N3CCNCC3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C25H23ClN6O2/c1-15-12-17(20-14-19(33)6-7-21(20)26)13-22-23(15)29-25(31-30-22)28-18-4-2-16(3-5-18)24(34)32-10-8-27-9-11-32/h2-7,12-14,27,33H,8-11H2,1H3,(H,28,29,31) | 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 | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Src |
J Med Chem 51: 1546-59 (2008)
Article DOI: 10.1021/jm7011276
BindingDB Entry DOI: 10.7270/Q2NV9K3X |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50221556
(4-chloro-3-(5-methyl-3-(4-(piperidin-4-ylsulfonyl)...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)C3CCNCC3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C25H24ClN5O3S/c1-15-12-16(21-14-18(32)4-7-22(21)26)13-23-24(15)29-25(31-30-23)28-17-2-5-19(6-3-17)35(33,34)20-8-10-27-11-9-20/h2-7,12-14,20,27,32H,8-11H2,1H3,(H,28,29,31) | PDB
MMDB
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 | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of YES |
J Med Chem 51: 1546-59 (2008)
Article DOI: 10.1021/jm7011276
BindingDB Entry DOI: 10.7270/Q2NV9K3X |
More data for this
Ligand-Target Pair | |
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