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BDBM284581 US10023570, Example 609::US10174027, Example 609

SMILES: CCn1cc(c(C)n1)-c1cc(-c2ccc(nc2)N2CCN(Cc3ccccc3)CC2)c2c(cnn2c1)C#N

InChI Key: InChIKey=LGTJYRRBGRFVQM-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 = 284581   
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))
BDBM284581
PNG
(US10023570, Example 609 | US10174027, Example 609)
Show SMILES CCn1cc(c(C)n1)-c1cc(-c2ccc(nc2)N2CCN(Cc3ccccc3)CC2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C30H30N8/c1-3-37-21-28(22(2)34-37)25-15-27(30-26(16-31)18-33-38(30)20-25)24-9-10-29(32-17-24)36-13-11-35(12-14-36)19-23-7-5-4-6-8-23/h4-10,15,17-18,20-21H,3,11-14,19H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 16.5n/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))
BDBM284581
PNG
(US10023570, Example 609 | US10174027, Example 609)
Show SMILES CCn1cc(c(C)n1)-c1cc(-c2ccc(nc2)N2CCN(Cc3ccccc3)CC2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C30H30N8/c1-3-37-21-28(22(2)34-37)25-15-27(30-26(16-31)18-33-38(30)20-25)24-9-10-29(32-17-24)36-13-11-35(12-14-36)19-23-7-5-4-6-8-23/h4-10,15,17-18,20-21H,3,11-14,19H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 93.8n/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 mutant (V804M)


(Homo sapiens (Human))
BDBM284581
PNG
(US10023570, Example 609 | US10174027, Example 609)
Show SMILES CCn1cc(c(C)n1)-c1cc(-c2ccc(nc2)N2CCN(Cc3ccccc3)CC2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C30H30N8/c1-3-37-21-28(22(2)34-37)25-15-27(30-26(16-31)18-33-38(30)20-25)24-9-10-29(32-17-24)36-13-11-35(12-14-36)19-23-7-5-4-6-8-23/h4-10,15,17-18,20-21H,3,11-14,19H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 93.8n/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
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM284581
PNG
(US10023570, Example 609 | US10174027, Example 609)
Show SMILES CCn1cc(c(C)n1)-c1cc(-c2ccc(nc2)N2CCN(Cc3ccccc3)CC2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C30H30N8/c1-3-37-21-28(22(2)34-37)25-15-27(30-26(16-31)18-33-38(30)20-25)24-9-10-29(32-17-24)36-13-11-35(12-14-36)19-23-7-5-4-6-8-23/h4-10,15,17-18,20-21H,3,11-14,19H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 93.8n/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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM284581
PNG
(US10023570, Example 609 | US10174027, Example 609)
Show SMILES CCn1cc(c(C)n1)-c1cc(-c2ccc(nc2)N2CCN(Cc3ccccc3)CC2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C30H30N8/c1-3-37-21-28(22(2)34-37)25-15-27(30-26(16-31)18-33-38(30)20-25)24-9-10-29(32-17-24)36-13-11-35(12-14-36)19-23-7-5-4-6-8-23/h4-10,15,17-18,20-21H,3,11-14,19H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 16.5n/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))
BDBM284581
PNG
(US10023570, Example 609 | US10174027, Example 609)
Show SMILES CCn1cc(c(C)n1)-c1cc(-c2ccc(nc2)N2CCN(Cc3ccccc3)CC2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C30H30N8/c1-3-37-21-28(22(2)34-37)25-15-27(30-26(16-31)18-33-38(30)20-25)24-9-10-29(32-17-24)36-13-11-35(12-14-36)19-23-7-5-4-6-8-23/h4-10,15,17-18,20-21H,3,11-14,19H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 16.5n/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