BindingDB logo
myBDB logout

BDBM269332 4,4-dimethyl-2-(2-methyl-4-(1-methyl-1H-indazol-5-yl)phenyl)-1-((1-(1-methylcyclopropanecarbonyl)azetidin-3-yl)methyl)-1H-imidazol-5(4H)-one ::US9718813, Compound 77

SMILES: Cc1cc(ccc1C1=NC(C)(C)C(=O)N1CC1CN(C1)C(=O)C1(C)CC1)-c1ccc2n(C)ncc2c1

InChI Key: InChIKey=KTAOEJZCHOKXPA-UHFFFAOYSA-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 = 269332   
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
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269332
PNG
(4,4-dimethyl-2-(2-methyl-4-(1-methyl-1H-indazol-5-...)
Show SMILES Cc1cc(ccc1C1=NC(C)(C)C(=O)N1CC1CN(C1)C(=O)C1(C)CC1)-c1ccc2n(C)ncc2c1
Show InChI InChI=1S/C29H33N5O2/c1-18-12-20(21-7-9-24-22(13-21)14-30-32(24)5)6-8-23(18)25-31-28(2,3)26(35)34(25)17-19-15-33(16-19)27(36)29(4)10-11-29/h6-9,12-14,19H,10-11,15-17H2,1-5H3
GoogleScholar
AffyNet 
UniChem
n/an/a 363n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))
BDBM269332
PNG
(4,4-dimethyl-2-(2-methyl-4-(1-methyl-1H-indazol-5-...)
Show SMILES Cc1cc(ccc1C1=NC(C)(C)C(=O)N1CC1CN(C1)C(=O)C1(C)CC1)-c1ccc2n(C)ncc2c1
Show InChI InChI=1S/C29H33N5O2/c1-18-12-20(21-7-9-24-22(13-21)14-30-32(24)5)6-8-23(18)25-31-28(2,3)26(35)34(25)17-19-15-33(16-19)27(36)29(4)10-11-29/h6-9,12-14,19H,10-11,15-17H2,1-5H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/a 151n/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 US9718813 (2017)

More data for this
Ligand-Target Pair