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BDBM284465 US10023570, Example 475::US10174027, Example 475

SMILES: Cn1cc(cn1)-c1cc(-c2ccc(nc2)N2CCN(CC2)C2CCOCC2)c2c(cnn2c1)C#N

InChI Key: InChIKey=IMUGQCLGOMNRPT-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 284465   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RET Kinase (aa658-end)


(Homo sapiens (Human))
BDBM284465
PNG
(US10023570, Example 475 | US10174027, Example 475)
Show SMILES Cn1cc(cn1)-c1cc(-c2ccc(nc2)N2CCN(CC2)C2CCOCC2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C26H28N8O/c1-31-17-22(16-29-31)20-12-24(26-21(13-27)15-30-34(26)18-20)19-2-3-25(28-14-19)33-8-6-32(7-9-33)23-4-10-35-11-5-23/h2-3,12,14-18,23H,4-11H2,1H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 44.3n/an/an/an/a7.4n/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio's HTRF® KinEASE -TK ...


US Patent US10023570 (2018)


BindingDB Entry DOI: 10.7270/Q2Q81G4V
More data for this
Ligand-Target Pair
RET Kinase (V804M) (aa658-end)


(Homo sapiens (Human))
BDBM284465
PNG
(US10023570, Example 475 | US10174027, Example 475)
Show SMILES Cn1cc(cn1)-c1cc(-c2ccc(nc2)N2CCN(CC2)C2CCOCC2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C26H28N8O/c1-31-17-22(16-29-31)20-12-24(26-21(13-27)15-30-34(26)18-20)19-2-3-25(28-14-19)33-8-6-32(7-9-33)23-4-10-35-11-5-23/h2-3,12,14-18,23H,4-11H2,1H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 357n/an/an/an/a7.4n/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio's HTRF® KinEASE -TK ...


US Patent US10023570 (2018)


BindingDB Entry DOI: 10.7270/Q2Q81G4V
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM284465
PNG
(US10023570, Example 475 | US10174027, Example 475)
Show SMILES Cn1cc(cn1)-c1cc(-c2ccc(nc2)N2CCN(CC2)C2CCOCC2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C26H28N8O/c1-31-17-22(16-29-31)20-12-24(26-21(13-27)15-30-34(26)18-20)19-2-3-25(28-14-19)33-8-6-32(7-9-33)23-4-10-35-11-5-23/h2-3,12,14-18,23H,4-11H2,1H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 357n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio's HTRF® KinEASE¿-TK ...


US Patent US10174027 (2019)


Article DOI: 10.1016/j.bmcl.2005.04.028
BindingDB Entry DOI: 10.7270/Q2TH8PRD
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM284465
PNG
(US10023570, Example 475 | US10174027, Example 475)
Show SMILES Cn1cc(cn1)-c1cc(-c2ccc(nc2)N2CCN(CC2)C2CCOCC2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C26H28N8O/c1-31-17-22(16-29-31)20-12-24(26-21(13-27)15-30-34(26)18-20)19-2-3-25(28-14-19)33-8-6-32(7-9-33)23-4-10-35-11-5-23/h2-3,12,14-18,23H,4-11H2,1H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 357n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio's HTRF® KinEASE-TK a...


US Patent US10174028 (2019)


Article DOI: 10.1016/j.bmcl.2005.04.028
BindingDB Entry DOI: 10.7270/Q2PR7Z2J
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM284465
PNG
(US10023570, Example 475 | US10174027, Example 475)
Show SMILES Cn1cc(cn1)-c1cc(-c2ccc(nc2)N2CCN(CC2)C2CCOCC2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C26H28N8O/c1-31-17-22(16-29-31)20-12-24(26-21(13-27)15-30-34(26)18-20)19-2-3-25(28-14-19)33-8-6-32(7-9-33)23-4-10-35-11-5-23/h2-3,12,14-18,23H,4-11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 44.3n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio's HTRF® KinEASE¿-TK ...


US Patent US10174027 (2019)


Article DOI: 10.1016/j.bmcl.2005.04.028
BindingDB Entry DOI: 10.7270/Q2TH8PRD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM284465
PNG
(US10023570, Example 475 | US10174027, Example 475)
Show SMILES Cn1cc(cn1)-c1cc(-c2ccc(nc2)N2CCN(CC2)C2CCOCC2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C26H28N8O/c1-31-17-22(16-29-31)20-12-24(26-21(13-27)15-30-34(26)18-20)19-2-3-25(28-14-19)33-8-6-32(7-9-33)23-4-10-35-11-5-23/h2-3,12,14-18,23H,4-11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 44.3n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio's HTRF® KinEASE-TK a...


US Patent US10174028 (2019)


Article DOI: 10.1016/j.bmcl.2005.04.028
BindingDB Entry DOI: 10.7270/Q2PR7Z2J
More data for this
Ligand-Target Pair