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BDBM284689 US10023570, Example 724::US10174027, Example 724

SMILES: COc1ccc(CN2CCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnc(C)s2)cn1

InChI Key: InChIKey=CJLAFPAGQAYSEL-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 = 284689   
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
RET Kinase (aa 658-1114)


(Homo sapiens (Human))
BDBM284689
PNG
(US10023570, Example 724 | US10174027, Example 724)
Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnc(C)s2)cn1
Show InChI InChI=1S/C28H26N8OS/c1-19-30-16-25(38-19)22-11-24(28-23(12-29)15-33-36(28)18-22)21-4-5-26(31-14-21)35-9-7-34(8-10-35)17-20-3-6-27(37-2)32-13-20/h3-6,11,13-16,18H,7-10,17H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11.8n/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))
BDBM284689
PNG
(US10023570, Example 724 | US10174027, Example 724)
Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnc(C)s2)cn1
Show InChI InChI=1S/C28H26N8OS/c1-19-30-16-25(38-19)22-11-24(28-23(12-29)15-33-36(28)18-22)21-4-5-26(31-14-21)35-9-7-34(8-10-35)17-20-3-6-27(37-2)32-13-20/h3-6,11,13-16,18H,7-10,17H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 59.7n/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))
BDBM284689
PNG
(US10023570, Example 724 | US10174027, Example 724)
Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnc(C)s2)cn1
Show InChI InChI=1S/C28H26N8OS/c1-19-30-16-25(38-19)22-11-24(28-23(12-29)15-33-36(28)18-22)21-4-5-26(31-14-21)35-9-7-34(8-10-35)17-20-3-6-27(37-2)32-13-20/h3-6,11,13-16,18H,7-10,17H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 59.7n/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))
BDBM284689
PNG
(US10023570, Example 724 | US10174027, Example 724)
Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnc(C)s2)cn1
Show InChI InChI=1S/C28H26N8OS/c1-19-30-16-25(38-19)22-11-24(28-23(12-29)15-33-36(28)18-22)21-4-5-26(31-14-21)35-9-7-34(8-10-35)17-20-3-6-27(37-2)32-13-20/h3-6,11,13-16,18H,7-10,17H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 59.7n/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))
BDBM284689
PNG
(US10023570, Example 724 | US10174027, Example 724)
Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnc(C)s2)cn1
Show InChI InChI=1S/C28H26N8OS/c1-19-30-16-25(38-19)22-11-24(28-23(12-29)15-33-36(28)18-22)21-4-5-26(31-14-21)35-9-7-34(8-10-35)17-20-3-6-27(37-2)32-13-20/h3-6,11,13-16,18H,7-10,17H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11.8n/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))
BDBM284689
PNG
(US10023570, Example 724 | US10174027, Example 724)
Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnc(C)s2)cn1
Show InChI InChI=1S/C28H26N8OS/c1-19-30-16-25(38-19)22-11-24(28-23(12-29)15-33-36(28)18-22)21-4-5-26(31-14-21)35-9-7-34(8-10-35)17-20-3-6-27(37-2)32-13-20/h3-6,11,13-16,18H,7-10,17H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11.8n/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