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BDBM269265 (4RS)-1-(((R)-1-(Cyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-4-(methoxymethyl)-4-methyl-2-(4-(1-methyl-1H-indazol-5-yl)phenyl)-1H-imidazol-5(4H)-one ::US10413545, Compound 10::US9718813, Compound 10

SMILES: COCC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2n(C)ncc2c1

InChI Key: InChIKey=SUCVQCGWVPTXCT-COBFLCELSA-N

Data: 4 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 4 hits for monomerid = 269265   
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
Fatty acid synthase


(Homo sapiens (Human))
BDBM269265
PNG
((4RS)-1-(((R)-1-(Cyclopropanecarbonyl)pyrrolidin-3...)
Show SMILES COCC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2n(C)ncc2c1 |r,c:5|
Show InChI InChI=1S/C29H33N5O3/c1-29(18-37-3)28(36)34(17-19-12-13-33(16-19)27(35)22-8-9-22)26(31-29)21-6-4-20(5-7-21)23-10-11-25-24(14-23)15-30-32(25)2/h4-7,10-11,14-15,19,22H,8-9,12-13,16-18H2,1-3H3/t19-,29?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 490n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
In this assay, inhibition of FASN activity is measured using 3H-acetyl-CoA and malonyl-CoA as substrates. 3H-Acetyl CoA is converted to 3H-palmitate ...


US Patent US9718813 (2017)


BindingDB Entry DOI: 10.7270/Q2QV3PJB
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))
BDBM269265
PNG
((4RS)-1-(((R)-1-(Cyclopropanecarbonyl)pyrrolidin-3...)
Show SMILES COCC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2n(C)ncc2c1 |r,c:5|
Show InChI InChI=1S/C29H33N5O3/c1-29(18-37-3)28(36)34(17-19-12-13-33(16-19)27(35)22-8-9-22)26(31-29)21-6-4-20(5-7-21)23-10-11-25-24(14-23)15-30-32(25)2/h4-7,10-11,14-15,19,22H,8-9,12-13,16-18H2,1-3H3/t19-,29?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 490n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
In this assay, inhibition of FASN activity is measured using 3H-acetyl-CoA and malonyl-CoA as substrates. 3H-Acetyl CoA is converted to 3H-palmitate ...


US Patent US10413545 (2019)


BindingDB Entry DOI: 10.7270/Q2H134CB
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))
BDBM269265
PNG
((4RS)-1-(((R)-1-(Cyclopropanecarbonyl)pyrrolidin-3...)
Show SMILES COCC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2n(C)ncc2c1 |r,c:5|
Show InChI InChI=1S/C29H33N5O3/c1-29(18-37-3)28(36)34(17-19-12-13-33(16-19)27(35)22-8-9-22)26(31-29)21-6-4-20(5-7-21)23-10-11-25-24(14-23)15-30-32(25)2/h4-7,10-11,14-15,19,22H,8-9,12-13,16-18H2,1-3H3/t19-,29?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...


Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (Human))
BDBM269265
PNG
((4RS)-1-(((R)-1-(Cyclopropanecarbonyl)pyrrolidin-3...)
Show SMILES COCC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2n(C)ncc2c1 |r,c:5|
Show InChI InChI=1S/C29H33N5O3/c1-29(18-37-3)28(36)34(17-19-12-13-33(16-19)27(35)22-8-9-22)26(31-29)21-6-4-20(5-7-21)23-10-11-25-24(14-23)15-30-32(25)2/h4-7,10-11,14-15,19,22H,8-9,12-13,16-18H2,1-3H3/t19-,29?/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.12E+3n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)


BindingDB Entry DOI: 10.7270/Q2QV3PJB
More data for this
Ligand-Target Pair