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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase receptor Ret' and Ligand = 'BDBM305638'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM305638
PNG
(US10144734, Example 656 | US10172845, Example 656 ...)
Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(CN3CCN(C)[C@@H](C)C3)(CC2)C(=O)NCC(C)C)c2c(cnn2c1)C#N |r|
Show InChI InChI=1S/C32H44N8O2/c1-6-42-27-15-28(30-26(16-33)19-36-40(30)21-27)25-7-8-29(34-18-25)39-11-9-32(10-12-39,31(41)35-17-23(2)3)22-38-14-13-37(5)24(4)20-38/h7-8,15,18-19,21,23-24H,6,9-14,17,20,22H2,1-5H3,(H,35,41)/t24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.30n/an/an/an/an/an/a



Array Biopharma Inc.

US Patent


Assay Description
Wildtype and V804M mutant: Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's ...


US Patent US10881652 (2021)


BindingDB Entry DOI: 10.7270/Q2ZG6WBN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM305638
PNG
(US10144734, Example 656 | US10172845, Example 656 ...)
Show SMILES CCOc1cc(-c2ccc(nc2)N2CCC(CN3CCN(C)[C@@H](C)C3)(CC2)C(=O)NCC(C)C)c2c(cnn2c1)C#N |r|
Show InChI InChI=1S/C32H44N8O2/c1-6-42-27-15-28(30-26(16-33)19-36-40(30)21-27)25-7-8-29(34-18-25)39-11-9-32(10-12-39,31(41)35-17-23(2)3)22-38-14-13-37(5)24(4)20-38/h7-8,15,18-19,21,23-24H,6,9-14,17,20,22H2,1-5H3,(H,35,41)/t24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.30n/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