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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 509.9
BDBM172342

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

Found 5 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-C chemokine receptor type 6


(Homo sapiens (Human))
BDBM172342
PNG
(US9090596, 22)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O
Show InChI InChI=1S/C22H24ClN3O7S/c1-11-5-8-14(33-11)21(22(2)9-32-10-22)25-16-15(18(28)19(16)29)24-13-7-6-12(23)20(17(13)27)34(30,31)26(3)4/h5-8,21,24-25,27H,9-10H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.40n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The experiments were carried out on the FLIPR TETRA.RTM. platform from Molecular Devices. After the basal level had been read, the compounds were add...


US Patent US9090596 (2015)


BindingDB Entry DOI: 10.7270/Q2M04462
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM172342
PNG
(US9090596, 22)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O
Show InChI InChI=1S/C22H24ClN3O7S/c1-11-5-8-14(33-11)21(22(2)9-32-10-22)25-16-15(18(28)19(16)29)24-13-7-6-12(23)20(17(13)27)34(30,31)26(3)4/h5-8,21,24-25,27H,9-10H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 31n/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 .beta.-a...


US Patent US9090596 (2015)


BindingDB Entry DOI: 10.7270/Q2M04462
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM172342
PNG
(US9090596, 22)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O
Show InChI InChI=1S/C22H24ClN3O7S/c1-11-5-8-14(33-11)21(22(2)9-32-10-22)25-16-15(18(28)19(16)29)24-13-7-6-12(23)20(17(13)27)34(30,31)26(3)4/h5-8,21,24-25,27H,9-10H2,1-4H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 117n/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 .beta.-a...


US Patent US9090596 (2015)


BindingDB Entry DOI: 10.7270/Q2M04462
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM172342
PNG
(US9090596, 22)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O
Show InChI InChI=1S/C22H24ClN3O7S/c1-11-5-8-14(33-11)21(22(2)9-32-10-22)25-16-15(18(28)19(16)29)24-13-7-6-12(23)20(17(13)27)34(30,31)26(3)4/h5-8,21,24-25,27H,9-10H2,1-4H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.50E+3n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The experiments were carried out on the FLIPR TETRA.RTM. platform from Molecular Devices. After the basal level had been read, the compounds were add...


US Patent US9090596 (2015)


BindingDB Entry DOI: 10.7270/Q2M04462
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM172342
PNG
(US9090596, 22)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O
Show InChI InChI=1S/C22H24ClN3O7S/c1-11-5-8-14(33-11)21(22(2)9-32-10-22)25-16-15(18(28)19(16)29)24-13-7-6-12(23)20(17(13)27)34(30,31)26(3)4/h5-8,21,24-25,27H,9-10H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.30E+3n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The experiments were carried out on the FLIPR TETRA.RTM. platform from Molecular Devices. After the basal level had been read, the compounds were add...


US Patent US9090596 (2015)


BindingDB Entry DOI: 10.7270/Q2M04462
More data for this
Ligand-Target Pair