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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 3' and Ligand = 'BDBM208583'   
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


(Homo sapiens (Human))
BDBM208583
PNG
(US9266876, 50)
Show SMILES CC(C)c1nc(-c2nc3ccccc3[nH]2)c(s1)N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12
Show InChI InChI=1S/C26H28N8OS/c1-16(2)25-31-22(23-29-18-7-4-5-8-19(18)30-23)26(36-25)32-11-12-34(17(3)13-32)21(35)14-33-15-28-20-9-6-10-27-24(20)33/h4-10,15-17H,11-14H2,1-3H3,(H,29,30)/t17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00675
BindingDB Entry DOI: 10.7270/Q29K4G85
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208583
PNG
(US9266876, 50)
Show SMILES CC(C)c1nc(-c2nc3ccccc3[nH]2)c(s1)N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12
Show InChI InChI=1S/C26H28N8OS/c1-16(2)25-31-22(23-29-18-7-4-5-8-19(18)30-23)26(36-25)32-11-12-34(17(3)13-32)21(35)14-33-15-28-20-9-6-10-27-24(20)33/h4-10,15-17H,11-14H2,1-3H3,(H,29,30)/t17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 599n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00675
BindingDB Entry DOI: 10.7270/Q29K4G85
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM208583
PNG
(US9266876, 50)
Show SMILES CC(C)c1nc(-c2nc3ccccc3[nH]2)c(s1)N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12
Show InChI InChI=1S/C26H28N8OS/c1-16(2)25-31-22(23-29-18-7-4-5-8-19(18)30-23)26(36-25)32-11-12-34(17(3)13-32)21(35)14-33-15-28-20-9-6-10-27-24(20)33/h4-10,15-17H,11-14H2,1-3H3,(H,29,30)/t17-/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.2c00675
BindingDB Entry DOI: 10.7270/Q29K4G85
More data for this
Ligand-Target Pair