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BDBM284579 US10023570, Example 599::US10174027, Example 599

SMILES: CCC1(CCN(CC1)c1ccc(cn1)-c1cc(cn2ncc(C#N)c12)-c1cn(C)nc1C)C(=O)NC(C)C

InChI Key: InChIKey=SEXIJDRLXZIPLO-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 = 284579   
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))
BDBM284579
PNG
(US10023570, Example 599 | US10174027, Example 599)
Show SMILES CCC1(CCN(CC1)c1ccc(cn1)-c1cc(cn2ncc(C#N)c12)-c1cn(C)nc1C)C(=O)NC(C)C
Show InChI InChI=1S/C29H34N8O/c1-6-29(28(38)33-19(2)3)9-11-36(12-10-29)26-8-7-21(15-31-26)24-13-22(25-18-35(5)34-20(25)4)17-37-27(24)23(14-30)16-32-37/h7-8,13,15-19H,6,9-12H2,1-5H3,(H,33,38)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 27.6n/an/an/an/a7.4n/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio's HTRF® KinEASE -TK ...


US Patent US10023570 (2018)


BindingDB Entry DOI: 10.7270/Q2Q81G4V
More data for this
Ligand-Target Pair
RET Kinase (V804M) (aa658-end)


(Homo sapiens (Human))
BDBM284579
PNG
(US10023570, Example 599 | US10174027, Example 599)
Show SMILES CCC1(CCN(CC1)c1ccc(cn1)-c1cc(cn2ncc(C#N)c12)-c1cn(C)nc1C)C(=O)NC(C)C
Show InChI InChI=1S/C29H34N8O/c1-6-29(28(38)33-19(2)3)9-11-36(12-10-29)26-8-7-21(15-31-26)24-13-22(25-18-35(5)34-20(25)4)17-37-27(24)23(14-30)16-32-37/h7-8,13,15-19H,6,9-12H2,1-5H3,(H,33,38)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 189n/an/an/an/a7.4n/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio's HTRF® KinEASE -TK ...


US Patent US10023570 (2018)


BindingDB Entry DOI: 10.7270/Q2Q81G4V
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM284579
PNG
(US10023570, Example 599 | US10174027, Example 599)
Show SMILES CCC1(CCN(CC1)c1ccc(cn1)-c1cc(cn2ncc(C#N)c12)-c1cn(C)nc1C)C(=O)NC(C)C
Show InChI InChI=1S/C29H34N8O/c1-6-29(28(38)33-19(2)3)9-11-36(12-10-29)26-8-7-21(15-31-26)24-13-22(25-18-35(5)34-20(25)4)17-37-27(24)23(14-30)16-32-37/h7-8,13,15-19H,6,9-12H2,1-5H3,(H,33,38)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 189n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio's HTRF® KinEASE-TK a...


US Patent US10174028 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7Z2J
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM284579
PNG
(US10023570, Example 599 | US10174027, Example 599)
Show SMILES CCC1(CCN(CC1)c1ccc(cn1)-c1cc(cn2ncc(C#N)c12)-c1cn(C)nc1C)C(=O)NC(C)C
Show InChI InChI=1S/C29H34N8O/c1-6-29(28(38)33-19(2)3)9-11-36(12-10-29)26-8-7-21(15-31-26)24-13-22(25-18-35(5)34-20(25)4)17-37-27(24)23(14-30)16-32-37/h7-8,13,15-19H,6,9-12H2,1-5H3,(H,33,38)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 189n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio's HTRF® KinEASE¿-TK ...


US Patent US10174027 (2019)


BindingDB Entry DOI: 10.7270/Q2TH8PRD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM284579
PNG
(US10023570, Example 599 | US10174027, Example 599)
Show SMILES CCC1(CCN(CC1)c1ccc(cn1)-c1cc(cn2ncc(C#N)c12)-c1cn(C)nc1C)C(=O)NC(C)C
Show InChI InChI=1S/C29H34N8O/c1-6-29(28(38)33-19(2)3)9-11-36(12-10-29)26-8-7-21(15-31-26)24-13-22(25-18-35(5)34-20(25)4)17-37-27(24)23(14-30)16-32-37/h7-8,13,15-19H,6,9-12H2,1-5H3,(H,33,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 27.6n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio's HTRF® KinEASE-TK a...


US Patent US10174028 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7Z2J
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM284579
PNG
(US10023570, Example 599 | US10174027, Example 599)
Show SMILES CCC1(CCN(CC1)c1ccc(cn1)-c1cc(cn2ncc(C#N)c12)-c1cn(C)nc1C)C(=O)NC(C)C
Show InChI InChI=1S/C29H34N8O/c1-6-29(28(38)33-19(2)3)9-11-36(12-10-29)26-8-7-21(15-31-26)24-13-22(25-18-35(5)34-20(25)4)17-37-27(24)23(14-30)16-32-37/h7-8,13,15-19H,6,9-12H2,1-5H3,(H,33,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 27.6n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio's HTRF® KinEASE¿-TK ...


US Patent US10174027 (2019)


BindingDB Entry DOI: 10.7270/Q2TH8PRD
More data for this
Ligand-Target Pair