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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'chemokine (C-X-C motif) receptor 3' and Ligand = 'BDBM291172'   
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM291172
PNG
(2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfuran-2-yl)...)
Show SMILES CNC(=O)c1cccc(NC2C(NC(c3ccc(C)o3)C3(C)CCCO3)C(=O)C2=O)c1O
Show InChI InChI=1S/C23H27N3O6/c1-12-8-9-15(32-12)21(23(2)10-5-11-31-23)26-17-16(19(28)20(17)29)25-14-7-4-6-13(18(14)27)22(30)24-3/h4,6-9,16-17,21,25-27H,5,10-11H2,1-3H3,(H,24,30)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM291172
PNG
(2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfuran-2-yl)...)
Show SMILES CNC(=O)c1cccc(NC2C(NC(c3ccc(C)o3)C3(C)CCCO3)C(=O)C2=O)c1O
Show InChI InChI=1S/C23H27N3O6/c1-12-8-9-15(32-12)21(23(2)10-5-11-31-23)26-17-16(19(28)20(17)29)25-14-7-4-6-13(18(14)27)22(30)24-3/h4,6-9,16-17,21,25-27H,5,10-11H2,1-3H3,(H,24,30)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)

More data for this
Ligand-Target Pair