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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 = 'BDBM305468'   
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))
BDBM305468
PNG
(US10144734, Example 485 | US10172845, Example 485 ...)
Show SMILES Cc1ccc(F)cc1C(=O)NC1(C)CCN(CC1)c1ccc(cn1)-c1cc(O)cn2ncc(C#N)c12
Show InChI InChI=1S/C27H25FN6O2/c1-17-3-5-20(28)11-22(17)26(36)32-27(2)7-9-33(10-8-27)24-6-4-18(14-30-24)23-12-21(35)16-34-25(23)19(13-29)15-31-34/h3-6,11-12,14-16,35H,7-10H2,1-2H3,(H,32,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.70n/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))
BDBM305468
PNG
(US10144734, Example 485 | US10172845, Example 485 ...)
Show SMILES Cc1ccc(F)cc1C(=O)NC1(C)CCN(CC1)c1ccc(cn1)-c1cc(O)cn2ncc(C#N)c12
Show InChI InChI=1S/C27H25FN6O2/c1-17-3-5-20(28)11-22(17)26(36)32-27(2)7-9-33(10-8-27)24-6-4-18(14-30-24)23-12-21(35)16-34-25(23)19(13-29)15-31-34/h3-6,11-12,14-16,35H,7-10H2,1-2H3,(H,32,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.70n/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