BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 491.4
BDBM208728

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))
BDBM208728
PNG
(US9266876, 195)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cc1nnc(C)o1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N7O2S/c1-11-10-30(7-8-31(11)16(32)9-15-29-28-12(2)33-15)19-17(27-20(34-19)21(22,23)24)18-25-13-5-3-4-6-14(13)26-18/h3-6,11H,7-10H2,1-2H3,(H,25,26)/t11-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208728
PNG
(US9266876, 195)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cc1nnc(C)o1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N7O2S/c1-11-10-30(7-8-31(11)16(32)9-15-29-28-12(2)33-15)19-17(27-20(34-19)21(22,23)24)18-25-13-5-3-4-6-14(13)26-18/h3-6,11H,7-10H2,1-2H3,(H,25,26)/t11-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 31n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208728
PNG
(US9266876, 195)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cc1nnc(C)o1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N7O2S/c1-11-10-30(7-8-31(11)16(32)9-15-29-28-12(2)33-15)19-17(27-20(34-19)21(22,23)24)18-25-13-5-3-4-6-14(13)26-18/h3-6,11H,7-10H2,1-2H3,(H,25,26)/t11-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.47E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00676
BindingDB Entry DOI: 10.7270/Q2222ZSK
More data for this
Ligand-Target Pair