BindingDB logo
myBDB logout

Patent code US9994550

Compile Data Set for Download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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
Fatty acid synthase


(Homo sapiens (Human))
BDBM397784
PNG
(US9994550, Compound 3)
Show SMILES COCCOc1n[nH]c(c1C)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H26N4O3/c1-16-4-7-20(12-22(16)23-17(2)24(28-27-23)32-11-10-31-3)25(30)29-14-21(15-29)19-8-5-18(13-26)6-9-19/h4-9,12,21H,10-11,14-15H2,1-3H3,(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/an/a



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9994550 (2018)

More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))
BDBM397787
PNG
(US9994550, Compound 6)
Show SMILES CCc1ccc(cc1-c1[nH]nc(OCCO)c1C)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H26N4O3/c1-3-18-8-9-20(12-22(18)23-16(2)24(28-27-23)32-11-10-30)25(31)29-14-21(15-29)19-6-4-17(13-26)5-7-19/h4-9,12,21,30H,3,10-11,14-15H2,1-2H3,(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/an/an/an/an/an/a



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9994550 (2018)

More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))
BDBM397786
PNG
(US9994550, Compound 5)
Show SMILES Cc1c(OCCO)n[nH]c1-c1cc(C(=O)N2CC(C2)c2ccc(cc2)C#N)c(C)cc1C
Show InChI InChI=1S/C25H26N4O3/c1-15-10-16(2)22(11-21(15)23-17(3)24(28-27-23)32-9-8-30)25(31)29-13-20(14-29)19-6-4-18(12-26)5-7-19/h4-7,10-11,20,30H,8-9,13-14H2,1-3H3,(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 19n/an/an/an/an/an/a



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9994550 (2018)

More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))
BDBM397785
PNG
(US9994550, Compound 4)
Show SMILES CCOCCOc1n[nH]c(c1C)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H28N4O3/c1-4-32-11-12-33-25-18(3)24(28-29-25)23-13-21(8-5-17(23)2)26(31)30-15-22(16-30)20-9-6-19(14-27)7-10-20/h5-10,13,22H,4,11-12,15-16H2,1-3H3,(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9994550 (2018)

More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))
BDBM397788
PNG
(US9994550, Compound 7)
Show SMILES CCOc1ccc(cc1)C1CN(C1)C(=O)c1ccc(C)c(c1)-c1[nH]nc(OCCO)c1C
Show InChI InChI=1S/C25H29N3O4/c1-4-31-21-9-7-18(8-10-21)20-14-28(15-20)25(30)19-6-5-16(2)22(13-19)23-17(3)24(27-26-23)32-12-11-29/h5-10,13,20,29H,4,11-12,14-15H2,1-3H3,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/a



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9994550 (2018)

More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))
BDBM397783
PNG
(US9994550, Compound 2)
Show SMILES Cc1c(OCCO)n[nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24N4O3/c1-15-3-6-19(11-21(15)22-16(2)23(27-26-22)31-10-9-29)24(30)28-13-20(14-28)18-7-4-17(12-25)5-8-18/h3-8,11,20,29H,9-10,13-14H2,1-2H3,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 23n/an/an/an/an/an/a



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9994550 (2018)

More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))
BDBM397789
PNG
(US9994550, Compound 8)
Show SMILES CC(C)Oc1ccc(cc1)C1CN(C1)C(=O)c1ccc(C)c(c1)-c1[nH]nc(OCCO)c1C
Show InChI InChI=1S/C26H31N3O4/c1-16(2)33-22-9-7-19(8-10-22)21-14-29(15-21)26(31)20-6-5-17(3)23(13-20)24-18(4)25(28-27-24)32-12-11-30/h5-10,13,16,21,30H,11-12,14-15H2,1-4H3,(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 35n/an/an/an/an/an/a



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9994550 (2018)

More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))
BDBM397782
PNG
(US9994550, Compound 1)
Show SMILES COc1[nH]nc(c1C)-c1cc(C(=O)N2CC(C2)c2ccc(cc2)C#N)c(C)cc1C
Show InChI InChI=1S/C24H24N4O2/c1-14-9-15(2)21(10-20(14)22-16(3)23(30-4)27-26-22)24(29)28-12-19(13-28)18-7-5-17(11-25)6-8-18/h5-10,19H,12-13H2,1-4H3,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 39n/an/an/an/an/an/a



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9994550 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%