Found 4 hits in this display 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 |
|---|
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50214117
(CHEMBL400906 | N-methyl(5-(3-(5-(trifluoromethoxy)...)Show SMILES CNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H16F3N7O/c1-25-7-11-4-12(9-26-8-11)13-5-15-18(30-31-19(15)27-10-13)20-28-16-3-2-14(6-17(16)29-20)32-21(22,23)24/h2-6,8-10,25H,7H2,1H3,(H,28,29)(H,27,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of CDK1 |
Bioorg Med Chem Lett 17: 4297-302 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.029
BindingDB Entry DOI: 10.7270/Q20C4VGJ |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50214117
(CHEMBL400906 | N-methyl(5-(3-(5-(trifluoromethoxy)...)Show SMILES CNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H16F3N7O/c1-25-7-11-4-12(9-26-8-11)13-5-15-18(30-31-19(15)27-10-13)20-28-16-3-2-14(6-17(16)29-20)32-21(22,23)24/h2-6,8-10,25H,7H2,1H3,(H,28,29)(H,27,30,31) | 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 | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 |
Bioorg Med Chem Lett 17: 4297-302 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.029
BindingDB Entry DOI: 10.7270/Q20C4VGJ |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50214117
(CHEMBL400906 | N-methyl(5-(3-(5-(trifluoromethoxy)...)Show SMILES CNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H16F3N7O/c1-25-7-11-4-12(9-26-8-11)13-5-15-18(30-31-19(15)27-10-13)20-28-16-3-2-14(6-17(16)29-20)32-21(22,23)24/h2-6,8-10,25H,7H2,1H3,(H,28,29)(H,27,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of HER2 |
Bioorg Med Chem Lett 17: 4297-302 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.029
BindingDB Entry DOI: 10.7270/Q20C4VGJ |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50214117
(CHEMBL400906 | N-methyl(5-(3-(5-(trifluoromethoxy)...)Show SMILES CNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H16F3N7O/c1-25-7-11-4-12(9-26-8-11)13-5-15-18(30-31-19(15)27-10-13)20-28-16-3-2-14(6-17(16)29-20)32-21(22,23)24/h2-6,8-10,25H,7H2,1H3,(H,28,29)(H,27,30,31) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of RET |
Bioorg Med Chem Lett 17: 4297-302 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.029
BindingDB Entry DOI: 10.7270/Q20C4VGJ |
More data for this
Ligand-Target Pair | |