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BDBM185563 US9670142, A131 5-(1H-indol-5-yl)-pyrimidine-2-carboxylic acid methyl-((1R,3S)-3-propionylamino-cyclopentyl)-amide

SMILES: CCC(=O)N[C@H]1CC[C@H](C1)N(C)C(=O)c1ncc(cn1)-c1ccc2[nH]ccc2c1

InChI Key: InChIKey=SOGBBHATEFNWFS-ZWKOTPCHSA-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 = 185563   
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))
BDBM185563
PNG
(US9670142, A131 5-(1H-indol-5-yl)-pyrimidine-2-car...)
Show SMILES CCC(=O)N[C@H]1CC[C@H](C1)N(C)C(=O)c1ncc(cn1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H25N5O2/c1-3-20(28)26-17-5-6-18(11-17)27(2)22(29)21-24-12-16(13-25-21)14-4-7-19-15(10-14)8-9-23-19/h4,7-10,12-13,17-18,23H,3,5-6,11H2,1-2H3,(H,26,28)/t17-,18+/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