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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 = 'BDBM303131'   
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))
BDBM303131
PNG
(US10137202, Compound TAM471)
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)OCc1ccc(NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)Cc1ccc(O)cc1
Show InChI InChI=1S/C70H105N13O14S/c1-11-34-82(68(93)61(45(8)13-3)78-65(91)54-21-16-18-35-81(54)10)55(43(4)5)40-56(96-37-12-2)67-76-53(42-98-67)64(90)74-50(39-47-25-29-51(84)30-26-47)38-46(9)62(88)79-80-70(95)97-41-48-23-27-49(28-24-48)73-63(89)52(20-19-33-72-69(71)94)75-66(92)60(44(6)7)77-57(85)22-15-14-17-36-83-58(86)31-32-59(83)87/h23-32,42-46,50,52,54-56,60-61,84H,11-22,33-41H2,1-10H3,(H,73,89)(H,74,90)(H,75,92)(H,77,85)(H,78,91)(H,79,88)(H,80,95)(H3,71,72,94)/t45-,46-,50+,52+,54+,55+,56+,60+,61-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 29.5n/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))
BDBM303131
PNG
(US10137202, Compound TAM471)
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)OCc1ccc(NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)Cc1ccc(O)cc1
Show InChI InChI=1S/C70H105N13O14S/c1-11-34-82(68(93)61(45(8)13-3)78-65(91)54-21-16-18-35-81(54)10)55(43(4)5)40-56(96-37-12-2)67-76-53(42-98-67)64(90)74-50(39-47-25-29-51(84)30-26-47)38-46(9)62(88)79-80-70(95)97-41-48-23-27-49(28-24-48)73-63(89)52(20-19-33-72-69(71)94)75-66(92)60(44(6)7)77-57(85)22-15-14-17-36-83-58(86)31-32-59(83)87/h23-32,42-46,50,52,54-56,60-61,84H,11-22,33-41H2,1-10H3,(H,73,89)(H,74,90)(H,75,92)(H,77,85)(H,78,91)(H,79,88)(H,80,95)(H3,71,72,94)/t45-,46-,50+,52+,54+,55+,56+,60+,61-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40E+4n/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