BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'yang' and Initial = 'mf'   
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
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50543969
PNG
(CHEMBL4640030)
Show SMILES CC(=O)NCC(=O)N1CCC[C@@H]1B(O)O |r|
Show InChI InChI=1S/C8H15BN2O4/c1-6(12)10-5-8(13)11-4-2-3-7(11)9(14)15/h7,14-15H,2-5H2,1H3,(H,10,12)/t7-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
23n/an/an/an/an/an/an/an/a



Peking University First Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal FLAG-tagged FAP (unknown origin) (38 to 760 residues) expressed in HEK293 cells using AMCC as substrate by fluor...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127253
BindingDB Entry DOI: 10.7270/Q2N87FC7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50009366
PNG
(CHEMBL3233842 | US11504364, Compound Ref.-Comp. | ...)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C17H14F2N4O2/c18-17(19)7-11(8-20)23(10-17)15(24)9-22-16(25)13-5-6-21-14-4-2-1-3-12(13)14/h1-6,11H,7,9-10H2,(H,22,25)/t11-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Peking University First Hospital

Curated by ChEMBL


Assay Description
Inhibition of FAP in human U87MG cells using Suc-Gly-Pro-AMC as substrate measured upto 60 mins by fluorescence based assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127253
BindingDB Entry DOI: 10.7270/Q2N87FC7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50009366
PNG
(CHEMBL3233842 | US11504364, Compound Ref.-Comp. | ...)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C17H14F2N4O2/c18-17(19)7-11(8-20)23(10-17)15(24)9-22-16(25)13-5-6-21-14-4-2-1-3-12(13)14/h1-6,11H,7,9-10H2,(H,22,25)/t11-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Peking University First Hospital

Curated by ChEMBL


Assay Description
Inhibition of FAP in human U87MG cells using Suc-Gly-Pro-AMC as substrate by fluorescence based assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127253
BindingDB Entry DOI: 10.7270/Q2N87FC7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 224n/an/an/an/an/an/a



Peking University First Hospital

Curated by ChEMBL


Assay Description
Inhibition of FAP in human U87MG cells using Suc-Gly-Pro-AMC as substrate by fluorescence based assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127253
BindingDB Entry DOI: 10.7270/Q2N87FC7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50543969
PNG
(CHEMBL4640030)
Show SMILES CC(=O)NCC(=O)N1CCC[C@@H]1B(O)O |r|
Show InChI InChI=1S/C8H15BN2O4/c1-6(12)10-5-8(13)11-4-2-3-7(11)9(14)15/h7,14-15H,2-5H2,1H3,(H,10,12)/t7-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 663n/an/an/an/an/an/a



Peking University First Hospital

Curated by ChEMBL


Assay Description
Inhibition of FAP in human U87MG cells using Suc-Gly-Pro-AMC as substrate by fluorescence based assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127253
BindingDB Entry DOI: 10.7270/Q2N87FC7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50225074
PNG
((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12|
Show InChI InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Peking University First Hospital

Curated by ChEMBL


Assay Description
Inhibition of FAP (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127253
BindingDB Entry DOI: 10.7270/Q2N87FC7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50543970
PNG
(CHEMBL4647532)
Show SMILES Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3cc(NC(=S)N4CCN(CCCOc5ccc6nccc(C(=O)NCC(=O)N7CC(F)(F)C[C@H]7C#N)c6c5)CC4)ccc23)c1 |r|
Show InChI InChI=1S/C45H39F2N7O8S/c46-44(47)22-27(23-48)54(25-44)40(57)24-50-41(58)31-10-11-49-37-9-5-30(21-32(31)37)60-17-1-12-52-13-15-53(16-14-52)43(63)51-26-2-6-34-33(18-26)42(59)62-45(34)35-7-3-28(55)19-38(35)61-39-20-29(56)4-8-36(39)45/h2-11,18-21,27,55-56H,1,12-17,22,24-25H2,(H,50,58)(H,51,63)/t27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Peking University First Hospital

Curated by ChEMBL


Assay Description
Inhibition of FAP in human U87MG cells using Suc-Gly-Pro-AMC as substrate by fluorescence based assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127253
BindingDB Entry DOI: 10.7270/Q2N87FC7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM11695
PNG
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4|
Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.98E+4n/an/an/an/an/an/a



Peking University First Hospital

Curated by ChEMBL


Assay Description
Inhibition of FAP in human U87MG cells using Suc-Gly-Pro-AMC as substrate by fluorescence based assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127253
BindingDB Entry DOI: 10.7270/Q2N87FC7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM11162
PNG
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 8.53E+4n/an/an/an/an/an/a



Peking University First Hospital

Curated by ChEMBL


Assay Description
Inhibition of FAP in human U87MG cells using Suc-Gly-Pro-AMC as substrate by fluorescence based assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127253
BindingDB Entry DOI: 10.7270/Q2N87FC7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM16285
PNG
(2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r|
Show InChI InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.47E+6n/an/an/an/an/an/a



Peking University First Hospital

Curated by ChEMBL


Assay Description
Inhibition of FAP in human U87MG cells using Suc-Gly-Pro-AMC as substrate by fluorescence based assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127253
BindingDB Entry DOI: 10.7270/Q2N87FC7
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50225074
PNG
((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12|
Show InChI InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.72E+6n/an/an/an/an/an/a



Peking University First Hospital

Curated by ChEMBL


Assay Description
Inhibition of FAP in human U87MG cells using Suc-Gly-Pro-AMC as substrate by fluorescence based assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127253
BindingDB Entry DOI: 10.7270/Q2N87FC7
More data for this
Ligand-Target Pair