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BDBM296464 US10112942, Example 198::US10137124, Example 198::US10172851, Example 198

SMILES: COc1ccc(CN2CCN(CC2)c2ccc(cn2)-c2cc(OC[C@H](O)CO)cn3ncc(C#N)c23)cn1

InChI Key: InChIKey=WWIDNNUQCYOVKF-ANBDAQEENA-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 = 296464   
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))
BDBM296464
PNG
(US10112942, Example 198 | US10137124, Example 198 ...)
Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(cn2)-c2cc(OC[C@H](O)CO)cn3ncc(C#N)c23)cn1
Show InChI InChI=1/C27H29N7O4/c1-37-26-5-2-19(12-30-26)15-32-6-8-33(9-7-32)25-4-3-20(13-29-25)24-10-23(38-18-22(36)17-35)16-34-27(24)21(11-28)14-31-34/h2-5,10,12-14,16,22,35-36H,6-9,15,17-18H2,1H3/t22-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 59.1n/an/an/an/a7.4n/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 tec...


US Patent US10112942 (2018)


Article DOI: 10.1016/j.bmcl.2005.03.003
BindingDB Entry DOI: 10.7270/Q2S75JB5
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM296464
PNG
(US10112942, Example 198 | US10137124, Example 198 ...)
Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(cn2)-c2cc(OC[C@H](O)CO)cn3ncc(C#N)c23)cn1
Show InChI InChI=1/C27H29N7O4/c1-37-26-5-2-19(12-30-26)15-32-6-8-33(9-7-32)25-4-3-20(13-29-25)24-10-23(38-18-22(36)17-35)16-34-27(24)21(11-28)14-31-34/h2-5,10,12-14,16,22,35-36H,6-9,15,17-18H2,1H3/t22-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 356n/an/an/an/an/an/a



Array BioPharma Inc

US Patent




US Patent US10112942 (2018)


Article DOI: 10.1016/j.bmcl.2005.03.003
BindingDB Entry DOI: 10.7270/Q2S75JB5
More data for this
Ligand-Target Pair
RET Kinase (V804M) (aa658-end)


(Homo sapiens (Human))
BDBM296464
PNG
(US10112942, Example 198 | US10137124, Example 198 ...)
Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(cn2)-c2cc(OC[C@H](O)CO)cn3ncc(C#N)c23)cn1
Show InChI InChI=1/C27H29N7O4/c1-37-26-5-2-19(12-30-26)15-32-6-8-33(9-7-32)25-4-3-20(13-29-25)24-10-23(38-18-22(36)17-35)16-34-27(24)21(11-28)14-31-34/h2-5,10,12-14,16,22,35-36H,6-9,15,17-18H2,1H3/t22-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 356n/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 US10172851 (2019)


Article DOI: 10.1021/jm800855x
BindingDB Entry DOI: 10.7270/Q2GM89CV
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM296464
PNG
(US10112942, Example 198 | US10137124, Example 198 ...)
Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(cn2)-c2cc(OC[C@H](O)CO)cn3ncc(C#N)c23)cn1
Show InChI InChI=1/C27H29N7O4/c1-37-26-5-2-19(12-30-26)15-32-6-8-33(9-7-32)25-4-3-20(13-29-25)24-10-23(38-18-22(36)17-35)16-34-27(24)21(11-28)14-31-34/h2-5,10,12-14,16,22,35-36H,6-9,15,17-18H2,1H3/t22-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 356n/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 tec...


US Patent US10137124 (2018)


Article DOI: 10.1021/cc0301014
BindingDB Entry DOI: 10.7270/Q28S4RZ6
More data for this
Ligand-Target Pair
RET Kinase (aa658-end)


(Homo sapiens (Human))
BDBM296464
PNG
(US10112942, Example 198 | US10137124, Example 198 ...)
Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(cn2)-c2cc(OC[C@H](O)CO)cn3ncc(C#N)c23)cn1
Show InChI InChI=1/C27H29N7O4/c1-37-26-5-2-19(12-30-26)15-32-6-8-33(9-7-32)25-4-3-20(13-29-25)24-10-23(38-18-22(36)17-35)16-34-27(24)21(11-28)14-31-34/h2-5,10,12-14,16,22,35-36H,6-9,15,17-18H2,1H3/t22-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 59.1n/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 US10172851 (2019)


Article DOI: 10.1021/jm800855x
BindingDB Entry DOI: 10.7270/Q2GM89CV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM296464
PNG
(US10112942, Example 198 | US10137124, Example 198 ...)
Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(cn2)-c2cc(OC[C@H](O)CO)cn3ncc(C#N)c23)cn1
Show InChI InChI=1/C27H29N7O4/c1-37-26-5-2-19(12-30-26)15-32-6-8-33(9-7-32)25-4-3-20(13-29-25)24-10-23(38-18-22(36)17-35)16-34-27(24)21(11-28)14-31-34/h2-5,10,12-14,16,22,35-36H,6-9,15,17-18H2,1H3/t22-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 59.1n/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 tec...


US Patent US10137124 (2018)


Article DOI: 10.1021/cc0301014
BindingDB Entry DOI: 10.7270/Q28S4RZ6
More data for this
Ligand-Target Pair