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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fibroblast activation protein alpha' and Ligand = 'BDBM303130'   
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))
BDBM303130
PNG
(US10137202, Compound TAM551)
Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)C([C@@H](C)CC)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C70H105N11O14S/c1-13-35-80(54(43(5)6)40-55(94-37-14-2)66-76-53(42-96-66)63(86)74-51(38-47(11)68(90)91)39-48-24-19-17-20-25-48)67(89)60(45(9)15-3)78-65(88)61(46(10)16-4)79(12)70(93)95-41-49-28-30-50(31-29-49)73-62(85)52(26-23-34-72-69(71)92)75-64(87)59(44(7)8)77-56(82)27-21-18-22-36-81-57(83)32-33-58(81)84/h17,19-20,24-25,28-33,42-47,51-52,54-55,59-61H,13-16,18,21-23,26-27,34-41H2,1-12H3,(H,73,85)(H,74,86)(H,75,87)(H,77,82)(H,78,88)(H,90,91)(H3,71,72,92)/t45-,46-,47-,51+,52-,54+,55+,59-,60-,61?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/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