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BDBM305279 US10144734, Example 295::US10172845, Example 295::US10441581, Example 295

SMILES: CC(C)CNC(=O)C1(C)CCN(CC1)c1ccc(cn1)-c1cc(OCC(C)(C)O)cn2ncc(C#N)c12

InChI Key: InChIKey=KLCVEZFIOTYUAC-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 = 305279   
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))
BDBM305279
PNG
(US10144734, Example 295 | US10172845, Example 295 ...)
Show SMILES CC(C)CNC(=O)C1(C)CCN(CC1)c1ccc(cn1)-c1cc(OCC(C)(C)O)cn2ncc(C#N)c12
Show InChI InChI=1S/C28H36N6O3/c1-19(2)14-31-26(35)28(5)8-10-33(11-9-28)24-7-6-20(15-30-24)23-12-22(37-18-27(3,4)36)17-34-25(23)21(13-29)16-32-34/h6-7,12,15-17,19,36H,8-11,14,18H2,1-5H3,(H,31,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/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))
BDBM305279
PNG
(US10144734, Example 295 | US10172845, Example 295 ...)
Show SMILES CC(C)CNC(=O)C1(C)CCN(CC1)c1ccc(cn1)-c1cc(OCC(C)(C)O)cn2ncc(C#N)c12
Show InChI InChI=1S/C28H36N6O3/c1-19(2)14-31-26(35)28(5)8-10-33(11-9-28)24-7-6-20(15-30-24)23-12-22(37-18-27(3,4)36)17-34-25(23)21(13-29)16-32-34/h6-7,12,15-17,19,36H,8-11,14,18H2,1-5H3,(H,31,35)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 81.4n/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))
BDBM305279
PNG
(US10144734, Example 295 | US10172845, Example 295 ...)
Show SMILES CC(C)CNC(=O)C1(C)CCN(CC1)c1ccc(cn1)-c1cc(OCC(C)(C)O)cn2ncc(C#N)c12
Show InChI InChI=1S/C28H36N6O3/c1-19(2)14-31-26(35)28(5)8-10-33(11-9-28)24-7-6-20(15-30-24)23-12-22(37-18-27(3,4)36)17-34-25(23)21(13-29)16-32-34/h6-7,12,15-17,19,36H,8-11,14,18H2,1-5H3,(H,31,35)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 81.4n/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))
BDBM305279
PNG
(US10144734, Example 295 | US10172845, Example 295 ...)
Show SMILES CC(C)CNC(=O)C1(C)CCN(CC1)c1ccc(cn1)-c1cc(OCC(C)(C)O)cn2ncc(C#N)c12
Show InChI InChI=1S/C28H36N6O3/c1-19(2)14-31-26(35)28(5)8-10-33(11-9-28)24-7-6-20(15-30-24)23-12-22(37-18-27(3,4)36)17-34-25(23)21(13-29)16-32-34/h6-7,12,15-17,19,36H,8-11,14,18H2,1-5H3,(H,31,35)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 81.4n/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))
BDBM305279
PNG
(US10144734, Example 295 | US10172845, Example 295 ...)
Show SMILES CC(C)CNC(=O)C1(C)CCN(CC1)c1ccc(cn1)-c1cc(OCC(C)(C)O)cn2ncc(C#N)c12
Show InChI InChI=1S/C28H36N6O3/c1-19(2)14-31-26(35)28(5)8-10-33(11-9-28)24-7-6-20(15-30-24)23-12-22(37-18-27(3,4)36)17-34-25(23)21(13-29)16-32-34/h6-7,12,15-17,19,36H,8-11,14,18H2,1-5H3,(H,31,35)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/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))
BDBM305279
PNG
(US10144734, Example 295 | US10172845, Example 295 ...)
Show SMILES CC(C)CNC(=O)C1(C)CCN(CC1)c1ccc(cn1)-c1cc(OCC(C)(C)O)cn2ncc(C#N)c12
Show InChI InChI=1S/C28H36N6O3/c1-19(2)14-31-26(35)28(5)8-10-33(11-9-28)24-7-6-20(15-30-24)23-12-22(37-18-27(3,4)36)17-34-25(23)21(13-29)16-32-34/h6-7,12,15-17,19,36H,8-11,14,18H2,1-5H3,(H,31,35)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/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