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PubMed code 12031332

Compile data set for download or QSAR
Found 27 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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102222
PNG
(1-(2-Bromo-phenyl)-3-(7-cyano-3H-benzotriazol-4-yl...)
Show SMILES Brc1ccccc1NC(=O)Nc1ccc(C#N)c2nn[nH]c12
Show InChI InChI=1S/C14H9BrN6O/c15-9-3-1-2-4-10(9)17-14(22)18-11-6-5-8(7-16)12-13(11)20-21-19-12/h1-6H,(H2,17,18,22)(H,19,20,21)
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n/an/a 10n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IL-8 from CHO cell membranes expressing human CX3C chemokine receptor 2


Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50113628
PNG
(CHEMBL431511 | [5-(4-Fluoro-phenylcarbamoyl)-pyrid...)
Show SMILES COC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H13FN2O3S/c1-21-14(19)9-22-13-7-2-10(8-17-13)15(20)18-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3,(H,18,20)
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n/an/a 32n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IL-8 from CHO cell membranes expressing human CX3C chemokine receptor 2


Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50113628
PNG
(CHEMBL431511 | [5-(4-Fluoro-phenylcarbamoyl)-pyrid...)
Show SMILES COC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H13FN2O3S/c1-21-14(19)9-22-13-7-2-10(8-17-13)15(20)18-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3,(H,18,20)
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n/an/a 42n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219799
PNG
(CHEMBL36535)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCC(=O)OCc3cccc(F)c3)nc2)cc1
PDB

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n/an/a 43n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219797
PNG
(CHEMBL36934)
Show SMILES CCCOC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
PDB

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n/an/a 46n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219796
PNG
(CHEMBL39464)
Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)OCc3cccc(F)c3)nc2)cc1
PDB

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n/an/a 50n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219800
PNG
(CHEMBL432475)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCC(=O)OCc3ccc(Br)cc3)nc2)cc1
PDB

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n/an/a 83n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219806
PNG
(CHEMBL291140)
Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)OCc3ccccc3)nc2)cc1
PDB

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n/an/a 94n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102225
PNG
(CHEMBL39740 | N'-(3-[2,2']Bithiophenyl-5-yl-6,7-di...)
Show SMILES CCN(CC)CCCCNc1nc2cc(Cl)c(Cl)cc2nc1-c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C24H26Cl2N4S2/c1-3-30(4-2)12-6-5-11-27-24-23(22-10-9-21(32-22)20-8-7-13-31-20)28-18-14-16(25)17(26)15-19(18)29-24/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,27,29)
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n/an/a 110n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IL-8 from CHO cell membranes expressing human CX3C chemokine receptor 2


Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219809
PNG
(CHEMBL36643)
Show SMILES COC(=O)COc1ccc(cn1)C(=O)Nc1ccc(F)cc1
PDB

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n/an/a 110n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219811
PNG
(CHEMBL39710)
Show SMILES CCOC(=O)COc1ccc(cn1)C(=O)Nc1ccc(F)cc1
PDB

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n/an/a 160n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219812
PNG
(CHEMBL36842)
Show SMILES CC(C)CCOC(=O)COc1ccc(cn1)C(=O)Nc1ccc(F)cc1
PDB

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n/an/a 200n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219808
PNG
(CHEMBL288527)
Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)Nc3cccnc3)nc2)cc1
PDB

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n/an/a 220n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219794
PNG
(CHEMBL289656)
Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)OC3CCCCC3)nc2)cc1
PDB

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n/an/a 220n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219810
PNG
(CHEMBL288876)
Show SMILES COC(=O)COc1ccc(NC(=O)c2ccc(F)cc2)cn1
PDB

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n/an/a 360n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219795
PNG
(CHEMBL40080)
Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)Oc3ccccc3)nc2)cc1
PDB

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n/an/a 410n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219789
PNG
(CHEMBL40955)
Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)OCCCCC3CCCCC3)nc2)cc1
PDB

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n/an/a 680n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219793
PNG
(CHEMBL289789)
Show SMILES COC(=O)CCSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
PDB

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n/an/a 760n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219790
PNG
(CHEMBL39937)
Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccccc3)nc2)cc1
PDB

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n/an/a 1.00E+3n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50113636
PNG
(CHEMBL39835 | [5-(4-Fluoro-phenylcarbamoyl)-pyridi...)
Show SMILES OC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C14H11FN2O3S/c15-10-2-4-11(5-3-10)17-14(20)9-1-6-12(16-7-9)21-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IL-8 from CHO cell membranes expressing human CX3C chemokine receptor 2 (CXCR2 filter mat binding assay)


Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219801
PNG
(CHEMBL40558)
Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(Br)c3)nc2)cc1
PDB

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n/an/a 2.70E+3n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219798
PNG
(CHEMBL39988)
Show SMILES OC(=O)CCCSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
PDB

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n/an/a 5.10E+3n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219792
PNG
(CHEMBL40114)
Show SMILES CN(C(=O)COc1ccc(cn1)C(=O)Nc1ccc(F)cc1)c1ccccc1
PDB

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n/an/a 1.25E+4n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219791
PNG
(CHEMBL35938)
Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)NC3CCCC3)nc2)cc1
PDB

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n/an/a>2.00E+4n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219788
PNG
(CHEMBL36797)
Show SMILES CNC(=O)COc1ccc(cn1)C(=O)Nc1ccc(F)cc1
PDB

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n/an/a>2.00E+4n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219807
PNG
(CHEMBL288457)
Show SMILES OC(=O)CCSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
PDB

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n/an/a>2.00E+4n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50113636
PNG
(CHEMBL39835 | [5-(4-Fluoro-phenylcarbamoyl)-pyridi...)
Show SMILES OC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C14H11FN2O3S/c15-10-2-4-11(5-3-10)17-14(20)9-1-6-12(16-7-9)21-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)
PDB

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Celltech R&D Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1517-20 (2002)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%