BindingDB logo
myBDB logout

BDBM305237 US10144734, Example 253::US10172845, Example 253::US10441581, Example 253

SMILES: CC(C)(O)COc1cc(-c2ccc(nc2)N2CCC(CC2)Oc2ccc(F)cn2)c2c(cnn2c1)C#N

InChI Key: InChIKey=FTYWDDSFIVYUOJ-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 = 305237   
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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM305237
PNG
(US10144734, Example 253 | US10172845, Example 253 ...)
Show SMILES CC(C)(O)COc1cc(-c2ccc(nc2)N2CCC(CC2)Oc2ccc(F)cn2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C27H27FN6O3/c1-27(2,35)17-36-22-11-23(26-19(12-29)14-32-34(26)16-22)18-3-5-24(30-13-18)33-9-7-21(8-10-33)37-25-6-4-20(28)15-31-25/h3-6,11,13-16,21,35H,7-10,17H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 25.3n/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)


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


(Homo sapiens (Human))
BDBM305237
PNG
(US10144734, Example 253 | US10172845, Example 253 ...)
Show SMILES CC(C)(O)COc1cc(-c2ccc(nc2)N2CCC(CC2)Oc2ccc(F)cn2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C27H27FN6O3/c1-27(2,35)17-36-22-11-23(26-19(12-29)14-32-34(26)16-22)18-3-5-24(30-13-18)33-9-7-21(8-10-33)37-25-6-4-20(28)15-31-25/h3-6,11,13-16,21,35H,7-10,17H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 61.3n/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)


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


(Homo sapiens (Human))
BDBM305237
PNG
(US10144734, Example 253 | US10172845, Example 253 ...)
Show SMILES CC(C)(O)COc1cc(-c2ccc(nc2)N2CCC(CC2)Oc2ccc(F)cn2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C27H27FN6O3/c1-27(2,35)17-36-22-11-23(26-19(12-29)14-32-34(26)16-22)18-3-5-24(30-13-18)33-9-7-21(8-10-33)37-25-6-4-20(28)15-31-25/h3-6,11,13-16,21,35H,7-10,17H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 61.3n/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)


BindingDB Entry DOI: 10.7270/Q2DZ0BP3
More data for this
Ligand-Target Pair
RET Kinase (V804M) (aa658-end)


(Homo sapiens (Human))
BDBM305237
PNG
(US10144734, Example 253 | US10172845, Example 253 ...)
Show SMILES CC(C)(O)COc1cc(-c2ccc(nc2)N2CCC(CC2)Oc2ccc(F)cn2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C27H27FN6O3/c1-27(2,35)17-36-22-11-23(26-19(12-29)14-32-34(26)16-22)18-3-5-24(30-13-18)33-9-7-21(8-10-33)37-25-6-4-20(28)15-31-25/h3-6,11,13-16,21,35H,7-10,17H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 61.3n/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)


BindingDB Entry DOI: 10.7270/Q2M90BR9
More data for this
Ligand-Target Pair
RET Kinase (V804M) (aa658-end)


(Homo sapiens (Human))
BDBM305237
PNG
(US10144734, Example 253 | US10172845, Example 253 ...)
Show SMILES CC(C)(O)COc1cc(-c2ccc(nc2)N2CCC(CC2)Oc2ccc(F)cn2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C27H27FN6O3/c1-27(2,35)17-36-22-11-23(26-19(12-29)14-32-34(26)16-22)18-3-5-24(30-13-18)33-9-7-21(8-10-33)37-25-6-4-20(28)15-31-25/h3-6,11,13-16,21,35H,7-10,17H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 25.3n/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)


BindingDB Entry DOI: 10.7270/Q2DZ0BP3
More data for this
Ligand-Target Pair
RET Kinase (aa 658-1114)


(Homo sapiens (Human))
BDBM305237
PNG
(US10144734, Example 253 | US10172845, Example 253 ...)
Show SMILES CC(C)(O)COc1cc(-c2ccc(nc2)N2CCC(CC2)Oc2ccc(F)cn2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C27H27FN6O3/c1-27(2,35)17-36-22-11-23(26-19(12-29)14-32-34(26)16-22)18-3-5-24(30-13-18)33-9-7-21(8-10-33)37-25-6-4-20(28)15-31-25/h3-6,11,13-16,21,35H,7-10,17H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 25.3n/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)


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