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Patent code US9120772

Compile Data Set for Download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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 2


(Homo sapiens (Human))
BDBM177693
PNG
(US9120772, 2)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCSCC3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C24H27N3O5S/c1-13-7-8-17(32-13)18(14-9-11-33-12-10-14)26-20-19(22(29)23(20)30)25-16-6-4-5-15(21(16)28)24(31)27(2)3/h4-8,14,18,25-26,28H,9-12H2,1-3H3
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US Patent
n/an/a 111n/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 -ar...


US Patent US9120772 (2015)


BindingDB Entry DOI: 10.7270/Q2PG1QHF
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM177694
PNG
(US9120772, 6)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(c3ccc(C)o3)C3(C)CCOCC3)c(=O)c2=O)c1O
Show InChI InChI=1S/C25H29N3O6/c1-14-8-9-17(34-14)23(25(2)10-12-33-13-11-25)27-19-18(21(30)22(19)31)26-16-7-5-6-15(20(16)29)24(32)28(3)4/h5-9,23,26-27,29H,10-13H2,1-4H3
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US Patent
n/an/a 157n/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 -ar...


US Patent US9120772 (2015)


BindingDB Entry DOI: 10.7270/Q2PG1QHF
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM177692
PNG
(US9120772, 1)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCOCC3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C24H27N3O6/c1-13-7-8-17(33-13)18(14-9-11-32-12-10-14)26-20-19(22(29)23(20)30)25-16-6-4-5-15(21(16)28)24(31)27(2)3/h4-8,14,18,25-26,28H,9-12H2,1-3H3
PDB

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US Patent
n/an/a 212n/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 -ar...


US Patent US9120772 (2015)


BindingDB Entry DOI: 10.7270/Q2PG1QHF
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM177694
PNG
(US9120772, 6)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(c3ccc(C)o3)C3(C)CCOCC3)c(=O)c2=O)c1O
Show InChI InChI=1S/C25H29N3O6/c1-14-8-9-17(34-14)23(25(2)10-12-33-13-11-25)27-19-18(21(30)22(19)31)26-16-7-5-6-15(20(16)29)24(32)28(3)4/h5-9,23,26-27,29H,10-13H2,1-4H3
PDB

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US Patent
n/an/a 3.35E+3n/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 -ar...


US Patent US9120772 (2015)


BindingDB Entry DOI: 10.7270/Q2PG1QHF
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM177693
PNG
(US9120772, 2)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCSCC3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C24H27N3O5S/c1-13-7-8-17(32-13)18(14-9-11-33-12-10-14)26-20-19(22(29)23(20)30)25-16-6-4-5-15(21(16)28)24(31)27(2)3/h4-8,14,18,25-26,28H,9-12H2,1-3H3
PDB

UniProtKB/SwissProt

B.MOAD
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US Patent
n/an/a 3.39E+3n/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 -ar...


US Patent US9120772 (2015)


BindingDB Entry DOI: 10.7270/Q2PG1QHF
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM177692
PNG
(US9120772, 1)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCOCC3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C24H27N3O6/c1-13-7-8-17(33-13)18(14-9-11-32-12-10-14)26-20-19(22(29)23(20)30)25-16-6-4-5-15(21(16)28)24(31)27(2)3/h4-8,14,18,25-26,28H,9-12H2,1-3H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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US Patent
n/an/a 5.44E+3n/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 -ar...


US Patent US9120772 (2015)


BindingDB Entry DOI: 10.7270/Q2PG1QHF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%