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Compile Data Set for Download or QSAR

Found 5 hits of ic50 data for polymerid = 50007006   
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
Prolyl endopeptidase FAP


(Bos taurus)
BDBM50134186
PNG
(CHEMBL3734964)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(NC(=O)C3CC3)c2C1 |r|
Show InChI InChI=1S/C20H23F2N5O2/c21-11-3-4-15(22)13(5-11)18-16(23)6-12(9-29-18)27-7-14-17(8-27)25-26-19(14)24-20(28)10-1-2-10/h3-5,10,12,16,18H,1-2,6-9,23H2,(H2,24,25,26,28)/t12-,16+,18-/m1/s1
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PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine serum FAP


Bioorg Med Chem Lett 25: 5767-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Bos taurus)
BDBM50134189
PNG
(CHEMBL3735129)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(NC(=O)c3nccs3)c2C1 |r|
Show InChI InChI=1S/C20H20F2N6O2S/c21-10-1-2-14(22)12(5-10)17-15(23)6-11(9-30-17)28-7-13-16(8-28)26-27-18(13)25-19(29)20-24-3-4-31-20/h1-5,11,15,17H,6-9,23H2,(H2,25,26,27,29)/t11-,15+,17-/m1/s1
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PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine serum FAP


Bioorg Med Chem Lett 25: 5767-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Bos taurus)
BDBM50135020
PNG
(CHEMBL3736135)
Show SMILES CCC(=O)Nc1n[nH]c2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C19H23F2N5O2/c1-2-17(27)23-19-13-7-26(8-16(13)24-25-19)11-6-15(22)18(28-9-11)12-5-10(20)3-4-14(12)21/h3-5,11,15,18H,2,6-9,22H2,1H3,(H2,23,24,25,27)/t11-,15+,18-/m1/s1
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n/an/a 4.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine serum FAP


Bioorg Med Chem Lett 25: 5767-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Bos taurus)
BDBM50135009
PNG
(CHEMBL3736423)
Show SMILES Cn1cnc(c1)S(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C20H22F2N6O3S/c1-26-9-19(24-11-26)32(29,30)28-7-12-6-27(8-18(12)25-28)14-5-17(23)20(31-10-14)15-4-13(21)2-3-16(15)22/h2-4,7,9,11,14,17,20H,5-6,8,10,23H2,1H3/t14-,17+,20-/m1/s1
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n/an/a 9.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine serum FAP


Bioorg Med Chem Lett 25: 5767-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Bos taurus)
BDBM50135035
PNG
(CHEMBL3736067)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H21F5N4O3S/c24-15-4-5-19(25)18(7-15)22-20(29)8-16(12-35-22)31-9-13-10-32(30-21(13)11-31)36(33,34)17-3-1-2-14(6-17)23(26,27)28/h1-7,10,16,20,22H,8-9,11-12,29H2/t16-,20+,22-/m1/s1
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine serum FAP


Bioorg Med Chem Lett 25: 5767-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S
More data for this
Ligand-Target Pair