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SMILES: CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1

InChI Key: InChIKey=DNXKACKCTLURQN-ACJLOTCBSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 50255479   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CCR3 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CXCR1 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 6


(Homo sapiens)		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CXCR6 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
Atypical chemokine receptor 2


(Homo sapiens)		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CCR10 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR6 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR8 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
CX3C chemokine receptor 1


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CX3CR1 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR3 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR7 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Mus musculus)		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in C57 mouse whole blood assessed as inhibition of GROalpha-stimulated CD11b upregulation preincubated for 1 hr followed...

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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n/an/a 5.20n/an/an/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 7


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR7 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CXCR5 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CCR2 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CCR5 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 7


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR7 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CCR9 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CCR8 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
CX3C chemokine receptor 1


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CX3CR1 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV pro...

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CXCR3 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as induction of beta-arrest...

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
Atypical chemokine receptor 2


(Homo sapiens)		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CCR10 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 6


(Homo sapiens)		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR6 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CCR2 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CXCR4 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CCR5 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CCR6 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
Chemerin-like receptor 1


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CMKLR1 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human whole blood assessed as inhibition of GROalpha-stimulated CD11b upregulation preincubated for 15 mins followed ...

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CXCR7 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR5 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CCR4 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
Chemerin-like receptor 1


(Homo sapiens (Human))		BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Agonist activity at CMKLR1 (unknown origin)

J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair