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BDBM183572 US9670142, A72 N-methyl-N-((1R,3S)-3-propionylamino-cyclopentyl)-4-quinolin-3-yl-benzamide

SMILES: CCC(=O)N[C@H]1CC[C@H](C1)N(C)C(=O)c1ccc(cc1)-c1cnc2ccccc2c1

InChI Key: InChIKey=QIMQCDINZYRBTJ-FCHUYYIVSA-N

Data: 1 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 1 hit for monomerid = 183572   
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 (FAS)


(Homo sapiens (Human))
BDBM183572
PNG
(US9670142, A72 N-methyl-N-((1R,3S)-3-propionylamin...)
Show SMILES CCC(=O)N[C@H]1CC[C@H](C1)N(C)C(=O)c1ccc(cc1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C25H27N3O2/c1-3-24(29)27-21-12-13-22(15-21)28(2)25(30)18-10-8-17(9-11-18)20-14-19-6-4-5-7-23(19)26-16-20/h4-11,14,16,21-22H,3,12-13,15H2,1-2H3,(H,27,29)/t21-,22+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<300n/an/an/an/a7.025



Merck Patent GmbH

US Patent


Assay Description
The biochemical FASN activity testing was performed as 384 well two-time-point kinetic fluorescence intensity assay format in Greiner low volume medi...


US Patent US9670142 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8C21
More data for this
Ligand-Target Pair