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BDBM305161 US10144734, Example 177::US10172845, Example 177::US10441581, Example 177

SMILES: COc1ccc(OC2CN(C2)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1

InChI Key: InChIKey=SVYBOAWTMGAUCK-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 = 305161   
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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM305161
PNG
(US10144734, Example 177 | US10172845, Example 177 ...)
Show SMILES COc1ccc(OC2CN(C2)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1
Show InChI InChI=1S/C26H26N6O4/c1-26(2,33)16-35-20-8-22(25-18(9-27)11-30-32(25)15-20)17-4-6-23(28-10-17)31-13-21(14-31)36-19-5-7-24(34-3)29-12-19/h4-8,10-12,15,21,33H,13-14,16H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 20.9n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF KinEASE-TK assay techn...


US Patent US10144734 (2018)


Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2251M8C
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM305161
PNG
(US10144734, Example 177 | US10172845, Example 177 ...)
Show SMILES COc1ccc(OC2CN(C2)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1
Show InChI InChI=1S/C26H26N6O4/c1-26(2,33)16-35-20-8-22(25-18(9-27)11-30-32(25)15-20)17-4-6-23(28-10-17)31-13-21(14-31)36-19-5-7-24(34-3)29-12-19/h4-8,10-12,15,21,33H,13-14,16H2,1-3H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 46n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF KinEASE-TK assay techn...


US Patent US10144734 (2018)


Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2251M8C
More data for this
Ligand-Target Pair
RET kinase mutant (G810R)


(Homo sapiens (Human))
BDBM305161
PNG
(US10144734, Example 177 | US10172845, Example 177 ...)
Show SMILES COc1ccc(OC2CN(C2)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1
Show InChI InChI=1S/C26H26N6O4/c1-26(2,33)16-35-20-8-22(25-18(9-27)11-30-32(25)15-20)17-4-6-23(28-10-17)31-13-21(14-31)36-19-5-7-24(34-3)29-12-19/h4-8,10-12,15,21,33H,13-14,16H2,1-3H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 46n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent


Assay Description
The potency of a compound inhibiting G810R mutant RET kinase was determined using CisBio's HTRF Kinease-TK assay technology. The assays contained...


US Patent US10441581 (2019)

More data for this
Ligand-Target Pair
RET Kinase (V804M) (aa658-end)


(Homo sapiens (Human))
BDBM305161
PNG
(US10144734, Example 177 | US10172845, Example 177 ...)
Show SMILES COc1ccc(OC2CN(C2)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1
Show InChI InChI=1S/C26H26N6O4/c1-26(2,33)16-35-20-8-22(25-18(9-27)11-30-32(25)15-20)17-4-6-23(28-10-17)31-13-21(14-31)36-19-5-7-24(34-3)29-12-19/h4-8,10-12,15,21,33H,13-14,16H2,1-3H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 46n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


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


US Patent US10172845 (2019)


Article DOI: 10.1021/jm800930w
BindingDB Entry DOI: 10.7270/Q2M90BR9
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (658-end)


(Homo sapiens (Human))
BDBM305161
PNG
(US10144734, Example 177 | US10172845, Example 177 ...)
Show SMILES COc1ccc(OC2CN(C2)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1
Show InChI InChI=1S/C26H26N6O4/c1-26(2,33)16-35-20-8-22(25-18(9-27)11-30-32(25)15-20)17-4-6-23(28-10-17)31-13-21(14-31)36-19-5-7-24(34-3)29-12-19/h4-8,10-12,15,21,33H,13-14,16H2,1-3H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20.9n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF KinEASE-TK assay techn...


US Patent US10441581 (2019)

More data for this
Ligand-Target Pair
RET Kinase (aa658-end)


(Homo sapiens (Human))
BDBM305161
PNG
(US10144734, Example 177 | US10172845, Example 177 ...)
Show SMILES COc1ccc(OC2CN(C2)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1
Show InChI InChI=1S/C26H26N6O4/c1-26(2,33)16-35-20-8-22(25-18(9-27)11-30-32(25)15-20)17-4-6-23(28-10-17)31-13-21(14-31)36-19-5-7-24(34-3)29-12-19/h4-8,10-12,15,21,33H,13-14,16H2,1-3H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 20.9n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


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


US Patent US10172845 (2019)


Article DOI: 10.1021/jm800930w
BindingDB Entry DOI: 10.7270/Q2M90BR9
More data for this
Ligand-Target Pair