BindingDB logo
myBDB logout

BDBM268883 (4RS)-1-(((R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-4-methyl-2-(4-(1-methyl-1H-indazol-5-yl)phenyl)-4-phenyl-1H-imidazol-5(4H)-one ::US9718813, Compound 6

SMILES: Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC(C)(C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1)c1ccccc1

InChI Key: InChIKey=WJTQIMFAFSZXSH-LWMFVPLKSA-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 = 268883   
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))
BDBM268883
PNG
((4RS)-1-(((R)-1-(cyclopropanecarbonyl)pyrrolidin-3...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC(C)(C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1)c1ccccc1
Show InChI InChI=1S/C33H33N5O2/c1-33(28-6-4-3-5-7-28)32(40)38(21-22-16-17-37(20-22)31(39)25-12-13-25)30(35-33)24-10-8-23(9-11-24)26-14-15-29-27(18-26)19-34-36(29)2/h3-11,14-15,18-19,22,25H,12-13,16-17,20-21H2,1-2H3/t22-,33?/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 417n/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)

More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))
BDBM268883
PNG
((4RS)-1-(((R)-1-(cyclopropanecarbonyl)pyrrolidin-3...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC(C)(C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1)c1ccccc1
Show InChI InChI=1S/C33H33N5O2/c1-33(28-6-4-3-5-7-28)32(40)38(21-22-16-17-37(20-22)31(39)25-12-13-25)30(35-33)24-10-8-23(9-11-24)26-14-15-29-27(18-26)19-34-36(29)2/h3-11,14-15,18-19,22,25H,12-13,16-17,20-21H2,1-2H3/t22-,33?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 162n/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)

More data for this
Ligand-Target Pair