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BDBM284566 US10023570, Example 585::US10174027, Example 585

SMILES: CC(C)OCCN1CCN(CC1)c1ccc(cn1)-c1cc(cn2ncc(C#N)c12)-c1cnn(c1)C(F)F

InChI Key: InChIKey=HOXVJEUFMINBEE-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 = 284566   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RET Kinase (aa 658-1114)


(Homo sapiens (Human))
BDBM284566
PNG
(US10023570, Example 585 | US10174027, Example 585)
Show SMILES CC(C)OCCN1CCN(CC1)c1ccc(cn1)-c1cc(cn2ncc(C#N)c12)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C26H28F2N8O/c1-18(2)37-10-9-33-5-7-34(8-6-33)24-4-3-19(13-30-24)23-11-20(22-15-32-36(17-22)26(27)28)16-35-25(23)21(12-29)14-31-35/h3-4,11,13-18,26H,5-10H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 13.6n/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))
BDBM284566
PNG
(US10023570, Example 585 | US10174027, Example 585)
Show SMILES CC(C)OCCN1CCN(CC1)c1ccc(cn1)-c1cc(cn2ncc(C#N)c12)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C26H28F2N8O/c1-18(2)37-10-9-33-5-7-34(8-6-33)24-4-3-19(13-30-24)23-11-20(22-15-32-36(17-22)26(27)28)16-35-25(23)21(12-29)14-31-35/h3-4,11,13-18,26H,5-10H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 58.4n/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))
BDBM284566
PNG
(US10023570, Example 585 | US10174027, Example 585)
Show SMILES CC(C)OCCN1CCN(CC1)c1ccc(cn1)-c1cc(cn2ncc(C#N)c12)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C26H28F2N8O/c1-18(2)37-10-9-33-5-7-34(8-6-33)24-4-3-19(13-30-24)23-11-20(22-15-32-36(17-22)26(27)28)16-35-25(23)21(12-29)14-31-35/h3-4,11,13-18,26H,5-10H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 58.4n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z2J
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM284566
PNG
(US10023570, Example 585 | US10174027, Example 585)
Show SMILES CC(C)OCCN1CCN(CC1)c1ccc(cn1)-c1cc(cn2ncc(C#N)c12)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C26H28F2N8O/c1-18(2)37-10-9-33-5-7-34(8-6-33)24-4-3-19(13-30-24)23-11-20(22-15-32-36(17-22)26(27)28)16-35-25(23)21(12-29)14-31-35/h3-4,11,13-18,26H,5-10H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 58.4n/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)


BindingDB Entry DOI: 10.7270/Q2TH8PRD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM284566
PNG
(US10023570, Example 585 | US10174027, Example 585)
Show SMILES CC(C)OCCN1CCN(CC1)c1ccc(cn1)-c1cc(cn2ncc(C#N)c12)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C26H28F2N8O/c1-18(2)37-10-9-33-5-7-34(8-6-33)24-4-3-19(13-30-24)23-11-20(22-15-32-36(17-22)26(27)28)16-35-25(23)21(12-29)14-31-35/h3-4,11,13-18,26H,5-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 13.6n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z2J
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM284566
PNG
(US10023570, Example 585 | US10174027, Example 585)
Show SMILES CC(C)OCCN1CCN(CC1)c1ccc(cn1)-c1cc(cn2ncc(C#N)c12)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C26H28F2N8O/c1-18(2)37-10-9-33-5-7-34(8-6-33)24-4-3-19(13-30-24)23-11-20(22-15-32-36(17-22)26(27)28)16-35-25(23)21(12-29)14-31-35/h3-4,11,13-18,26H,5-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 13.6n/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)


BindingDB Entry DOI: 10.7270/Q2TH8PRD
More data for this
Ligand-Target Pair