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BDBM311737 Ex. Cpd. 189::US10807986, Example 189

SMILES: COCc1ccc(NC(=O)c2c(C#CCN3CCC(CC3)OC)n(c3ncnc(N)c23)C2(C)CC2)cc1

InChI Key: InChIKey=BKZNDIUIEHPPRV-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 = 311737   
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))
BDBM311737
PNG
(Ex. Cpd. 189 | US10807986, Example 189)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCC(CC3)OC)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C28H34N6O3/c1-28(12-13-28)34-22(5-4-14-33-15-10-21(37-3)11-16-33)23(24-25(29)30-18-31-26(24)34)27(35)32-20-8-6-19(7-9-20)17-36-2/h6-9,18,21H,10-17H2,1-3H3,(H,32,35)(H2,29,30,31)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)


BindingDB Entry DOI: 10.7270/Q2X350J3
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM311737
PNG
(Ex. Cpd. 189 | US10807986, Example 189)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCC(CC3)OC)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C28H34N6O3/c1-28(12-13-28)34-22(5-4-14-33-15-10-21(37-3)11-16-33)23(24-25(29)30-18-31-26(24)34)27(35)32-20-8-6-19(7-9-20)17-36-2/h6-9,18,21H,10-17H2,1-3H3,(H,32,35)(H2,29,30,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.70n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L) (i.e., RET with V804L mutation) kinase acti...


US Patent US10155768 (2018)


BindingDB Entry DOI: 10.7270/Q2X350J3
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM311737
PNG
(Ex. Cpd. 189 | US10807986, Example 189)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCC(CC3)OC)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C28H34N6O3/c1-28(12-13-28)34-22(5-4-14-33-15-10-21(37-3)11-16-33)23(24-25(29)30-18-31-26(24)34)27(35)32-20-8-6-19(7-9-20)17-36-2/h6-9,18,21H,10-17H2,1-3H3,(H,32,35)(H2,29,30,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11.9n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L or V804M) (i.e., RET with V804L or V804M mut...


US Patent US10807986 (2020)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM311737
PNG
(Ex. Cpd. 189 | US10807986, Example 189)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCC(CC3)OC)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C28H34N6O3/c1-28(12-13-28)34-22(5-4-14-33-15-10-21(37-3)11-16-33)23(24-25(29)30-18-31-26(24)34)27(35)32-20-8-6-19(7-9-20)17-36-2/h6-9,18,21H,10-17H2,1-3H3,(H,32,35)(H2,29,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10807986 (2020)

More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM311737
PNG
(Ex. Cpd. 189 | US10807986, Example 189)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCC(CC3)OC)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C28H34N6O3/c1-28(12-13-28)34-22(5-4-14-33-15-10-21(37-3)11-16-33)23(24-25(29)30-18-31-26(24)34)27(35)32-20-8-6-19(7-9-20)17-36-2/h6-9,18,21H,10-17H2,1-3H3,(H,32,35)(H2,29,30,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.70n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L or V804M) (i.e., RET with V804L or V804M mut...


US Patent US10807986 (2020)

More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM311737
PNG
(Ex. Cpd. 189 | US10807986, Example 189)
Show SMILES COCc1ccc(NC(=O)c2c(C#CCN3CCC(CC3)OC)n(c3ncnc(N)c23)C2(C)CC2)cc1
Show InChI InChI=1S/C28H34N6O3/c1-28(12-13-28)34-22(5-4-14-33-15-10-21(37-3)11-16-33)23(24-25(29)30-18-31-26(24)34)27(35)32-20-8-6-19(7-9-20)17-36-2/h6-9,18,21H,10-17H2,1-3H3,(H,32,35)(H2,29,30,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11.9n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd

US Patent


Assay Description
RET (V804M) (i.e., RET with V804M mutation) kinase activity was measured using purified recombinant human RET (V804M) protein purchased from Eurofins...


US Patent US10155768 (2018)


BindingDB Entry DOI: 10.7270/Q2X350J3
More data for this
Ligand-Target Pair