BindingDB logo
myBDB logout

BDBM208590 US9266876, 57

SMILES: Cc1cccc2ccn(CC(=O)N3CCN(CC3)c3scnc3-c3nc4ccccc4[nH]3)c12

InChI Key: InChIKey=HOMALBCBVVBVQX-UHFFFAOYSA-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 = 208590   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CXCR3A / G protein (Galpha(16))


(Homo sapiens (Human))
BDBM208590
PNG
(US9266876, 57)
Show SMILES Cc1cccc2ccn(CC(=O)N3CCN(CC3)c3scnc3-c3nc4ccccc4[nH]3)c12
Show InChI InChI=1S/C25H24N6OS/c1-17-5-4-6-18-9-10-31(23(17)18)15-21(32)29-11-13-30(14-12-29)25-22(26-16-33-25)24-27-19-7-2-3-8-20(19)28-24/h2-10,16H,11-15H2,1H3,(H,27,28)
Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...


US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair