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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 2' AND taxid = 9986   
Target
(Institution)
LigandTarget
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


(Oryctolagus cuniculus)
BDBM50236292
PNG
(4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(di...)
Show SMILES CN(C)S(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN4O3S/c1-26(2)30(28,29)25-20(27)5-3-4-17-18-12-14(13-23)6-11-19(18)24-21(17)15-7-9-16(22)10-8-15/h6-12,24H,3-5H2,1-2H3,(H,25,27)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit CXCR2 by neutrophil chemotaxis assay


Bioorg Med Chem Lett 18: 1926-30 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Oryctolagus cuniculus)
BDBM50236295
PNG
(4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(m...)
Show SMILES CNS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O3S/c1-23-29(27,28)25-19(26)4-2-3-16-17-11-13(12-22)5-10-18(17)24-20(16)14-6-8-15(21)9-7-14/h5-11,23-24H,2-4H2,1H3,(H,25,26)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit CXCR2 by neutrophil chemotaxis assay


Bioorg Med Chem Lett 18: 1926-30 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Oryctolagus cuniculus)
BDBM50236304
PNG
(1-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)eth...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(Br)cc2c1CCNC(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H19BrFN3O3S/c24-16-8-11-21-20(14-16)19(22(27-21)15-6-9-17(25)10-7-15)12-13-26-23(29)28-32(30,31)18-4-2-1-3-5-18/h1-11,14,27H,12-13H2,(H2,26,28,29)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit CXCR2 by neutrophil chemotaxis assay


Bioorg Med Chem Lett 18: 1926-30 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Oryctolagus cuniculus)
BDBM50236305
PNG
(4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(me...)
Show SMILES CS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN3O3S/c1-28(26,27)24-19(25)4-2-3-16-17-11-13(12-22)5-10-18(17)23-20(16)14-6-8-15(21)9-7-14/h5-11,23H,2-4H2,1H3,(H,24,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit CXCR2 by neutrophil chemotaxis assay


Bioorg Med Chem Lett 18: 1926-30 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Oryctolagus cuniculus)
BDBM50236303
PNG
(4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(tr...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(cc2c1CCCC(=O)NS(=O)(=O)C(F)(F)F)C#N
Show InChI InChI=1S/C20H15F4N3O3S/c21-14-7-5-13(6-8-14)19-15(16-10-12(11-25)4-9-17(16)26-19)2-1-3-18(28)27-31(29,30)20(22,23)24/h4-10,26H,1-3H2,(H,27,28)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit CXCR2 by neutrophil chemotaxis assay


Bioorg Med Chem Lett 18: 1926-30 (2008)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Oryctolagus cuniculus)
BDBM50236296
PNG
(1-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)eth...)
Show SMILES CS(=O)(=O)NC(=O)NCCc1c([nH]c2ccc(Br)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17BrFN3O3S/c1-27(25,26)23-18(24)21-9-8-14-15-10-12(19)4-7-16(15)22-17(14)11-2-5-13(20)6-3-11/h2-7,10,22H,8-9H2,1H3,(H2,21,23,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit CXCR2 by neutrophil chemotaxis assay


Bioorg Med Chem Lett 18: 1926-30 (2008)

More data for this
Ligand-Target Pair