BindingDB logo
myBDB logout

BDBM148163 US8962612, 66

SMILES: NC(N)=NC(=O)N1Cc2c(ccc(F)c2C2(CC2)C1)-c1c(F)cccc1F

InChI Key: InChIKey=CMKAVZVNVJNXJG-UHFFFAOYSA-N

Data: 1 KI

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 = 148163   
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
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))		BDBM148163
PNG
(US8962612, 66)
Show SMILES NC(N)=NC(=O)N1Cc2c(ccc(F)c2C2(CC2)C1)-c1c(F)cccc1F |(6,-.77,;4.67,,;4.67,1.54,;3.33,-.77,;2,,;2,1.54,;.67,-.77,;-.67,,;-2,-.77,;-3.33,,;-4.67,-.77,;-4.67,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-2,-2.31,;-.67,-3.08,;-1.44,-4.41,;.1,-4.41,;.67,-2.31,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-4.67,3.85,;-3.33,4.62,;-2,3.85,;-2,2.31,;-.67,1.54,)|
Show InChI InChI=1S/C19H17F3N4O/c20-12-2-1-3-13(21)15(12)10-4-5-14(22)16-11(10)8-26(9-19(16)6-7-19)18(27)25-17(23)24/h1-5H,6-9H2,(H4,23,24,25,27)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 0.75 -12.9n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...

US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair