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BDBM315892 US10172845, Example 546::US10441581, Example 546

SMILES: CCOc1cc(-c2ccc(nc2)N2CCC(C)(CC2)NC(=O)C2(N)CCC2)c2c(cnn2c1)C#N

InChI Key: InChIKey=QDJQFESCPUQJJC-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 = 315892   
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 (aa 658-1114)


(Homo sapiens (Human))
BDBM315892
PNG
(US10172845, Example 546 | US10441581, Example 546)
Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(C)(CC2)NC(=O)C2(N)CCC2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C26H31N7O2/c1-3-35-20-13-21(23-19(14-27)16-30-33(23)17-20)18-5-6-22(29-15-18)32-11-9-25(2,10-12-32)31-24(34)26(28)7-4-8-26/h5-6,13,15-17H,3-4,7-12,28H2,1-2H3,(H,31,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 29.8n/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))
BDBM315892
PNG
(US10172845, Example 546 | US10441581, Example 546)
Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(C)(CC2)NC(=O)C2(N)CCC2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C26H31N7O2/c1-3-35-20-13-21(23-19(14-27)16-30-33(23)17-20)18-5-6-22(29-15-18)32-11-9-25(2,10-12-32)31-24(34)26(28)7-4-8-26/h5-6,13,15-17H,3-4,7-12,28H2,1-2H3,(H,31,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 243n/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 mutant (V804M)


(Homo sapiens (Human))
BDBM315892
PNG
(US10172845, Example 546 | US10441581, Example 546)
Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(C)(CC2)NC(=O)C2(N)CCC2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C26H31N7O2/c1-3-35-20-13-21(23-19(14-27)16-30-33(23)17-20)18-5-6-22(29-15-18)32-11-9-25(2,10-12-32)31-24(34)26(28)7-4-8-26/h5-6,13,15-17H,3-4,7-12,28H2,1-2H3,(H,31,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 274n/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))
BDBM315892
PNG
(US10172845, Example 546 | US10441581, Example 546)
Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(C)(CC2)NC(=O)C2(N)CCC2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C26H31N7O2/c1-3-35-20-13-21(23-19(14-27)16-30-33(23)17-20)18-5-6-22(29-15-18)32-11-9-25(2,10-12-32)31-24(34)26(28)7-4-8-26/h5-6,13,15-17H,3-4,7-12,28H2,1-2H3,(H,31,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 29.8n/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 mutant (G810R)


(Homo sapiens (Human))
BDBM315892
PNG
(US10172845, Example 546 | US10441581, Example 546)
Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(C)(CC2)NC(=O)C2(N)CCC2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C26H31N7O2/c1-3-35-20-13-21(23-19(14-27)16-30-33(23)17-20)18-5-6-22(29-15-18)32-11-9-25(2,10-12-32)31-24(34)26(28)7-4-8-26/h5-6,13,15-17H,3-4,7-12,28H2,1-2H3,(H,31,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 243n/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 mutant (G810R)


(Homo sapiens (Human))
BDBM315892
PNG
(US10172845, Example 546 | US10441581, Example 546)
Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(C)(CC2)NC(=O)C2(N)CCC2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C26H31N7O2/c1-3-35-20-13-21(23-19(14-27)16-30-33(23)17-20)18-5-6-22(29-15-18)32-11-9-25(2,10-12-32)31-24(34)26(28)7-4-8-26/h5-6,13,15-17H,3-4,7-12,28H2,1-2H3,(H,31,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 274n/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 US10172845 (2019)


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