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BDBM305552 US10144734, Example 569::US10172845, Example 569::US10441581, Example 569

SMILES: CCOc1cc(-c2ccc(nc2)N2CCC(CN(C)C)(CC2)NC(=O)C(C)C(C)C)c2c(cnn2c1)C#N

InChI Key: InChIKey=YCMZIFKAUIACJS-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 305552   
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))
BDBM305552
PNG
(US10144734, Example 569 | US10172845, Example 569 ...)
Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(CN(C)C)(CC2)NC(=O)C(C)C(C)C)c2c(cnn2c1)C#N
Show InChI InChI=1S/C29H39N7O2/c1-7-38-24-14-25(27-23(15-30)17-32-36(27)18-24)22-8-9-26(31-16-22)35-12-10-29(11-13-35,19-34(5)6)33-28(37)21(4)20(2)3/h8-9,14,16-18,20-21H,7,10-13,19H2,1-6H3,(H,33,37)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20.8n/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 techn...


US Patent US10144734 (2018)


BindingDB Entry DOI: 10.7270/Q2251M8C
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM305552
PNG
(US10144734, Example 569 | US10172845, Example 569 ...)
Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(CN(C)C)(CC2)NC(=O)C(C)C(C)C)c2c(cnn2c1)C#N
Show InChI InChI=1S/C29H39N7O2/c1-7-38-24-14-25(27-23(15-30)17-32-36(27)18-24)22-8-9-26(31-16-22)35-12-10-29(11-13-35,19-34(5)6)33-28(37)21(4)20(2)3/h8-9,14,16-18,20-21H,7,10-13,19H2,1-6H3,(H,33,37)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 59.9n/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 techn...


US Patent US10144734 (2018)


BindingDB Entry DOI: 10.7270/Q2251M8C
More data for this
Ligand-Target Pair
RET kinase mutant (G810R)


(Homo sapiens (Human))
BDBM305552
PNG
(US10144734, Example 569 | US10172845, Example 569 ...)
Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(CN(C)C)(CC2)NC(=O)C(C)C(C)C)c2c(cnn2c1)C#N
Show InChI InChI=1S/C29H39N7O2/c1-7-38-24-14-25(27-23(15-30)17-32-36(27)18-24)22-8-9-26(31-16-22)35-12-10-29(11-13-35,19-34(5)6)33-28(37)21(4)20(2)3/h8-9,14,16-18,20-21H,7,10-13,19H2,1-6H3,(H,33,37)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


Assay Description
The potency of a compound inhibiting G81 OR mutant RET kinase was determined using CisBio's HTRF Kinease-TK assay technology. The assays containe...


US Patent US10144734 (2018)


BindingDB Entry DOI: 10.7270/Q2251M8C
More data for this
Ligand-Target Pair
RET Kinase (aa 658-1114)


(Homo sapiens (Human))
BDBM305552
PNG
(US10144734, Example 569 | US10172845, Example 569 ...)
Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(CN(C)C)(CC2)NC(=O)C(C)C(C)C)c2c(cnn2c1)C#N
Show InChI InChI=1S/C29H39N7O2/c1-7-38-24-14-25(27-23(15-30)17-32-36(27)18-24)22-8-9-26(31-16-22)35-12-10-29(11-13-35,19-34(5)6)33-28(37)21(4)20(2)3/h8-9,14,16-18,20-21H,7,10-13,19H2,1-6H3,(H,33,37)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20.8n/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 US10172845 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BR9
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM305552
PNG
(US10144734, Example 569 | US10172845, Example 569 ...)
Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(CN(C)C)(CC2)NC(=O)C(C)C(C)C)c2c(cnn2c1)C#N
Show InChI InChI=1S/C29H39N7O2/c1-7-38-24-14-25(27-23(15-30)17-32-36(27)18-24)22-8-9-26(31-16-22)35-12-10-29(11-13-35,19-34(5)6)33-28(37)21(4)20(2)3/h8-9,14,16-18,20-21H,7,10-13,19H2,1-6H3,(H,33,37)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent


Assay Description
The potency of a compound inhibiting G810R mutant RET kinase was determined using CisBio's HTRF Kinease-TK assay technology. The assays contained...


US Patent US10441581 (2019)


BindingDB Entry DOI: 10.7270/Q2DZ0BP3
More data for this
Ligand-Target Pair
RET kinase mutant (G810R)


(Homo sapiens (Human))
BDBM305552
PNG
(US10144734, Example 569 | US10172845, Example 569 ...)
Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(CN(C)C)(CC2)NC(=O)C(C)C(C)C)c2c(cnn2c1)C#N
Show InChI InChI=1S/C29H39N7O2/c1-7-38-24-14-25(27-23(15-30)17-32-36(27)18-24)22-8-9-26(31-16-22)35-12-10-29(11-13-35,19-34(5)6)33-28(37)21(4)20(2)3/h8-9,14,16-18,20-21H,7,10-13,19H2,1-6H3,(H,33,37)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


Assay Description
The potency of a compound inhibiting G810R mutant RET kinase was determined using CisBio's HTRF Kinease-TK assay technology. The assays contained...


US Patent US10172845 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BR9
More data for this
Ligand-Target Pair
RET Kinase (V804M) (aa658-end)


(Homo sapiens (Human))
BDBM305552
PNG
(US10144734, Example 569 | US10172845, Example 569 ...)
Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(CN(C)C)(CC2)NC(=O)C(C)C(C)C)c2c(cnn2c1)C#N
Show InChI InChI=1S/C29H39N7O2/c1-7-38-24-14-25(27-23(15-30)17-32-36(27)18-24)22-8-9-26(31-16-22)35-12-10-29(11-13-35,19-34(5)6)33-28(37)21(4)20(2)3/h8-9,14,16-18,20-21H,7,10-13,19H2,1-6H3,(H,33,37)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20.8n/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 techn...


US Patent US10441581 (2019)


BindingDB Entry DOI: 10.7270/Q2DZ0BP3
More data for this
Ligand-Target Pair
RET kinase mutant (G810R)


(Homo sapiens (Human))
BDBM305552
PNG
(US10144734, Example 569 | US10172845, Example 569 ...)
Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(CN(C)C)(CC2)NC(=O)C(C)C(C)C)c2c(cnn2c1)C#N
Show InChI InChI=1S/C29H39N7O2/c1-7-38-24-14-25(27-23(15-30)17-32-36(27)18-24)22-8-9-26(31-16-22)35-12-10-29(11-13-35,19-34(5)6)33-28(37)21(4)20(2)3/h8-9,14,16-18,20-21H,7,10-13,19H2,1-6H3,(H,33,37)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 59.9n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent


Assay Description
The potency of a compound inhibiting G810R mutant RET kinase was determined using CisBio's HTRF Kinease-TK assay technology. The assays contained...


US Patent US10441581 (2019)


BindingDB Entry DOI: 10.7270/Q2DZ0BP3
More data for this
Ligand-Target Pair
RET Kinase (V804M) (aa658-end)


(Homo sapiens (Human))
BDBM305552
PNG
(US10144734, Example 569 | US10172845, Example 569 ...)
Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(CN(C)C)(CC2)NC(=O)C(C)C(C)C)c2c(cnn2c1)C#N
Show InChI InChI=1S/C29H39N7O2/c1-7-38-24-14-25(27-23(15-30)17-32-36(27)18-24)22-8-9-26(31-16-22)35-12-10-29(11-13-35,19-34(5)6)33-28(37)21(4)20(2)3/h8-9,14,16-18,20-21H,7,10-13,19H2,1-6H3,(H,33,37)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 59.9n/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 US10172845 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BR9
More data for this
Ligand-Target Pair