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PubMed code 21341682

Compile data set for download or QSAR
Found 37 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-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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n/an/a 80n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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n/an/a 80n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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n/an/a 200n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC cells assessed as inhibition of CCL2-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 in human PBMC cells assessed as inhibition of CCL4-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339635
PNG
(1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbo...)
Show SMILES Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)
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n/an/a 700n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339635
PNG
(1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbo...)
Show SMILES Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)
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n/an/a 700n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339630
PNG
(1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3-isopropox...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H18N2O5/c1-11(2)25-14-5-3-4-13(9-14)19-18(22)20-17(21)12-6-7-15-16(8-12)24-10-23-15/h3-9,11H,10H2,1-2H3,(H2,19,20,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)
BDBM50339635
PNG
(1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbo...)
Show SMILES Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in mouse spleen cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339629
PNG
(1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3-(trifluor...)
Show SMILES FC(F)(F)c1cccc(NC(=O)NC(=O)c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C16H11F3N2O4/c17-16(18,19)10-2-1-3-11(7-10)20-15(23)21-14(22)9-4-5-12-13(6-9)25-8-24-12/h1-7H,8H2,(H2,20,21,22,23)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339628
PNG
(1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3,4-dichlor...)
Show SMILES Clc1ccc(NC(=O)NC(=O)c2ccc3OCOc3c2)cc1Cl
Show InChI InChI=1S/C15H10Cl2N2O4/c16-10-3-2-9(6-11(10)17)18-15(21)19-14(20)8-1-4-12-13(5-8)23-7-22-12/h1-6H,7H2,(H2,18,19,20,21)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339627
PNG
(1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3-chlorophe...)
Show SMILES Clc1cccc(NC(=O)NC(=O)c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C15H11ClN2O4/c16-10-2-1-3-11(7-10)17-15(20)18-14(19)9-4-5-12-13(6-9)22-8-21-12/h1-7H,8H2,(H2,17,18,19,20)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50339635
PNG
(1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbo...)
Show SMILES Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 in human PBMC cells assessed as inhibition of CCL4-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339626
PNG
(1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3-chloro-4-...)
Show SMILES Oc1ccc(NC(=O)NC(=O)c2ccc3OCOc3c2)cc1Cl
Show InChI InChI=1S/C15H11ClN2O5/c16-10-6-9(2-3-11(10)19)17-15(21)18-14(20)8-1-4-12-13(5-8)23-7-22-12/h1-6,19H,7H2,(H2,17,18,20,21)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339637
PNG
(1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3-chlorophe...)
Show SMILES NC(NC(=O)c1ccc2OCOc2c1)=Nc1cccc(Cl)c1 |w:14.16|
Show InChI InChI=1S/C15H12ClN3O3/c16-10-2-1-3-11(7-10)18-15(17)19-14(20)9-4-5-12-13(6-9)22-8-21-12/h1-7H,8H2,(H3,17,18,19,20)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339633
PNG
(1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3-chlorophe...)
Show SMILES CN(C(=O)Nc1cccc(Cl)c1)C(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H13ClN2O4/c1-19(16(21)18-12-4-2-3-11(17)8-12)15(20)10-5-6-13-14(7-10)23-9-22-13/h2-8H,9H2,1H3,(H,18,21)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human PBMC cells assessed as inhibition of CCL3-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339632
PNG
(1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(4-phenylphe...)
Show SMILES O=C(NC(=O)c1ccc2OCOc2c1)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H16N2O4/c24-20(16-8-11-18-19(12-16)27-13-26-18)23-21(25)22-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-12H,13H2,(H2,22,23,24,25)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMN cells assessed as inhibition of CXCL8-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339638
PNG
(5-(Benzo[d][1,3]dioxol-5-yl)-N-(3,4-dichlorophenyl...)
Show SMILES Clc1ccc(Nc2noc(n2)-c2ccc3OCOc3c2)cc1Cl
Show InChI InChI=1S/C15H9Cl2N3O3/c16-10-3-2-9(6-11(10)17)18-15-19-14(23-20-15)8-1-4-12-13(5-8)22-7-21-12/h1-6H,7H2,(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 in human PBMC cells assessed as inhibition of CCL5-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 in human PBMC cells assessed as inhibition of CCL5-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human PBMC cells assessed as inhibition of CCL5-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 in human PBMC cells assessed as inhibition of CCL3-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50339635
PNG
(1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbo...)
Show SMILES Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMN cells assessed as inhibition of CXCL8-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 in human PMN cells assessed as inhibition of CXCL8-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50339635
PNG
(1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbo...)
Show SMILES Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 in human PMN cells assessed as inhibition of CXCL8-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50339635
PNG
(1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbo...)
Show SMILES Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4 in transfected in THP-1 cells assessed as inhibition of CCL17-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339639
PNG
(1-(Benzo[d][1,3]dioxol-5-yl)-3-(3-chlorobenzoyl)ur...)
Show SMILES Clc1cccc(c1)C(=O)NC(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C15H11ClN2O4/c16-10-3-1-2-9(6-10)14(19)18-15(20)17-11-4-5-12-13(7-11)22-8-21-12/h1-7H,8H2,(H2,17,18,19,20)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in eosinophil cells assessed as inhibition of CCL11-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50339635
PNG
(1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbo...)
Show SMILES Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human PBMC cells assessed as inhibition of CCL3-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4 in transfected in THP-1 cells assessed as inhibition of CCL17-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Rattus norvegicus)
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in rat spleen cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339631
PNG
(1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3-phenylphe...)
Show SMILES O=C(NC(=O)c1ccc2OCOc2c1)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C21H16N2O4/c24-20(16-9-10-18-19(12-16)27-13-26-18)23-21(25)22-17-8-4-7-15(11-17)14-5-2-1-3-6-14/h1-12H,13H2,(H2,22,23,24,25)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50339634
PNG
(1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3-chlorophe...)
Show SMILES CN(C(=O)N(C)c1cccc(Cl)c1)C(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H15ClN2O4/c1-19(13-5-3-4-12(18)9-13)17(22)20(2)16(21)11-6-7-14-15(8-11)24-10-23-14/h3-9H,10H2,1-2H3
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50339635
PNG
(1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbo...)
Show SMILES Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 in human PBMC cells assessed as inhibition of CCL3-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 in eosinophil cells assessed as inhibition of CCL11-induced chemotaxis after 2 hrs trans-well migration assay


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)
BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in mouse spleen cells assessed as inhibition of CCL2-induced chemotaxis


J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%