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BDBM208676 US9266876, 143

SMILES: C[C@@H]1CN(CCN1C(=O)Cn1cc(Cl)c2cccnc12)c1scnc1-c1nc2ccccc2[nH]1

InChI Key: InChIKey=JTYXVQCIHWUUHK-OAHLLOKOSA-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 = 208676   
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
CXCR3A / G protein (Galpha(16))


(Homo sapiens (Human))
BDBM208676
PNG
(US9266876, 143)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cc(Cl)c2cccnc12)c1scnc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H22ClN7OS/c1-15-11-30(24-21(27-14-34-24)22-28-18-6-2-3-7-19(18)29-22)9-10-32(15)20(33)13-31-12-17(25)16-5-4-8-26-23(16)31/h2-8,12,14-15H,9-11,13H2,1H3,(H,28,29)/t15-/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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