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BDBM303138 US10137202, Compound TAM553

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)OCCOCCNC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)Cc1ccccc1

InChI Key: InChIKey=GILRDZPBWMMDNB-NOFZBGKUSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 303138   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM303138
PNG
(US10137202, Compound TAM553)
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)OCCOCCNC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)Cc1ccccc1
Show InChI InChI=1S/C75H114N14O16S/c1-11-36-88(72(98)65(50(8)13-3)84-69(96)58-26-19-21-37-87(58)10)59(48(4)5)45-60(103-39-12-2)71-82-57(47-106-71)68(95)80-55(44-52-23-16-14-17-24-52)43-51(9)66(93)85-86-75(101)104-42-41-102-40-35-78-74(100)105-46-53-28-30-54(31-29-53)79-67(94)56(25-22-34-77-73(76)99)81-70(97)64(49(6)7)83-61(90)27-18-15-20-38-89-62(91)32-33-63(89)92/h14,16-17,23-24,28-33,47-51,55-56,58-60,64-65H,11-13,15,18-22,25-27,34-46H2,1-10H3,(H,78,100)(H,79,94)(H,80,95)(H,81,97)(H,83,90)(H,84,96)(H,85,93)(H,86,101)(H3,76,77,99)/t50-,51-,55+,56-,58+,59+,60+,64-,65-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 98n/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))
BDBM303138
PNG
(US10137202, Compound TAM553)
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)OCCOCCNC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)Cc1ccccc1
Show InChI InChI=1S/C75H114N14O16S/c1-11-36-88(72(98)65(50(8)13-3)84-69(96)58-26-19-21-37-87(58)10)59(48(4)5)45-60(103-39-12-2)71-82-57(47-106-71)68(95)80-55(44-52-23-16-14-17-24-52)43-51(9)66(93)85-86-75(101)104-42-41-102-40-35-78-74(100)105-46-53-28-30-54(31-29-53)79-67(94)56(25-22-34-77-73(76)99)81-70(97)64(49(6)7)83-61(90)27-18-15-20-38-89-62(91)32-33-63(89)92/h14,16-17,23-24,28-33,47-51,55-56,58-60,64-65H,11-13,15,18-22,25-27,34-46H2,1-10H3,(H,78,100)(H,79,94)(H,80,95)(H,81,97)(H,83,90)(H,84,96)(H,85,93)(H,86,101)(H3,76,77,99)/t50-,51-,55+,56-,58+,59+,60+,64-,65-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.00E+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