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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fibroblast activation protein alpha' and Ligand = 'BDBM303132'   
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
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM303132
PNG
(US10137202, Compound TAM552)
Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCCOCCOCCOCCNC(=O)CCCCCN1C(=O)C=CC1=O)Cc1ccc(O)cc1
Show InChI InChI=1S/C60H95N9O14S/c1-9-26-68(59(77)54(42(6)11-3)64-57(76)48-17-14-16-27-67(48)8)49(41(4)5)39-50(82-29-10-2)58-63-47(40-84-58)56(75)62-45(38-44-19-21-46(70)22-20-44)37-43(7)55(74)65-66-60(78)83-36-35-81-34-33-80-32-31-79-30-25-61-51(71)18-13-12-15-28-69-52(72)23-24-53(69)73/h19-24,40-43,45,48-50,54,70H,9-18,25-39H2,1-8H3,(H,61,71)(H,62,75)(H,64,76)(H,65,74)(H,66,78)/t42-,43-,45+,48+,49+,50+,54-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Oncomatryx Biopharma, S.L.

US Patent


Assay Description
cell proliferation arrest on HT1080 cells (CPA; crystal violet).


US Patent US10137202 (2018)

More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM303132
PNG
(US10137202, Compound TAM552)
Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCCOCCOCCOCCNC(=O)CCCCCN1C(=O)C=CC1=O)Cc1ccc(O)cc1
Show InChI InChI=1S/C60H95N9O14S/c1-9-26-68(59(77)54(42(6)11-3)64-57(76)48-17-14-16-27-67(48)8)49(41(4)5)39-50(82-29-10-2)58-63-47(40-84-58)56(75)62-45(38-44-19-21-46(70)22-20-44)37-43(7)55(74)65-66-60(78)83-36-35-81-34-33-80-32-31-79-30-25-61-51(71)18-13-12-15-28-69-52(72)23-24-53(69)73/h19-24,40-43,45,48-50,54,70H,9-18,25-39H2,1-8H3,(H,61,71)(H,62,75)(H,64,76)(H,65,74)(H,66,78)/t42-,43-,45+,48+,49+,50+,54-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90E+3n/an/an/an/an/an/a



Oncomatryx Biopharma, S.L.

US Patent


Assay Description
TPI; Tubulin Polymerization assay kit; Cytoskeleton, Cat. #BK011P.


US Patent US10137202 (2018)

More data for this
Ligand-Target Pair