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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'florio' and Initial = 's'   
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 1/2


(Homo sapiens (Human))
BDBM50475205
PNG
(CHEMBL190899)
Show SMILES CONC(=O)[C@H](C)c1ccc(CC(C)C)cc1
Show InChI InChI=1S/C14H21NO2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-17-4/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Domp£ S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear cells


J Med Chem 48: 4312-31 (2005)


Article DOI: 10.1021/jm049082i
BindingDB Entry DOI: 10.7270/Q2Z89G5H
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1/2


(Homo sapiens (Human))
BDBM50169045
PNG
((R)-2-(4-isobutylphenyl)-N-(methylsulfonyl)propana...)
Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1
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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Domp£ S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear cells


J Med Chem 48: 4312-31 (2005)


Article DOI: 10.1021/jm049082i
BindingDB Entry DOI: 10.7270/Q2Z89G5H
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1/2


(Homo sapiens (Human))
BDBM50169048
PNG
((R)-2-(3-Benzoyl-phenyl)-propionic acid | (R)-2-(3...)
Show SMILES C[C@@H](C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1
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MCE
KEGG
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Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Domp£ S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear cells


J Med Chem 48: 4312-31 (2005)


Article DOI: 10.1021/jm049082i
BindingDB Entry DOI: 10.7270/Q2Z89G5H
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1/2


(Homo sapiens (Human))
BDBM50088570
PNG
((S)-2-(3-Benzoyl-phenyl)-propionic acid | (S)-2-(3...)
Show SMILES C[C@H](C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1
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MCE
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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Domp£ S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear cells


J Med Chem 48: 4312-31 (2005)


Article DOI: 10.1021/jm049082i
BindingDB Entry DOI: 10.7270/Q2Z89G5H
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1/2


(Homo sapiens (Human))
BDBM50475204
PNG
(CHEMBL192943)
Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m0/s1
PDB

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UniProtKB/SwissProt

antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Domp£ S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear cells


J Med Chem 48: 4312-31 (2005)


Article DOI: 10.1021/jm049082i
BindingDB Entry DOI: 10.7270/Q2Z89G5H
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1/2


(Homo sapiens (Human))
BDBM50169047
PNG
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O |r|
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
PDB

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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Domp£ S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear cells


J Med Chem 48: 4312-31 (2005)


Article DOI: 10.1021/jm049082i
BindingDB Entry DOI: 10.7270/Q2Z89G5H
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1/2


(Homo sapiens (Human))
BDBM50169044
PNG
((-)-ibuprofen | (2R)-2-(4-isobutylphenyl)propanoic...)
Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
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CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Domp£ S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear cells


J Med Chem 48: 4312-31 (2005)


Article DOI: 10.1021/jm049082i
BindingDB Entry DOI: 10.7270/Q2Z89G5H
More data for this
Ligand-Target Pair