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Compile Data Set for Download or QSAR

Found 215 hits with Last Name = 'younai' and Initial = 'a'   
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 4


(Homo sapiens (Human))		BDBM50545768
PNG
(CHEMBL4641127)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCNC(C)=O)C1 |r|
Show InChI InChI=1S/C26H33Cl2N7O/c1-16-25-26(35(32-16)17(2)22-7-6-21(27)11-23(22)28)31-24(12-30-25)34-14-20(15-34)19-5-4-9-33(13-19)10-8-29-18(3)36/h6-7,11-12,17,19-20H,4-5,8-10,13-15H2,1-3H3,(H,29,36)/t17-,19+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545779
PNG
(CHEMBL4642563)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C(N)=O)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r|
Show InChI InChI=1S/C24H29Cl2N7O2/c1-14(18-5-4-17(25)9-19(18)26)33-24-22(21(30-33)23(27)35)28-10-20(29-24)32-12-16(13-32)15-3-2-6-31(11-15)7-8-34/h4-5,9-10,14-16,34H,2-3,6-8,11-13H2,1H3,(H2,27,35)/t14-,15+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545782
PNG
(CHEMBL4637695)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C(=O)N(C)C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r|
Show InChI InChI=1S/C26H33Cl2N7O2/c1-16(20-7-6-19(27)11-21(20)28)35-25-23(24(31-35)26(37)32(2)3)29-12-22(30-25)34-14-18(15-34)17-5-4-8-33(13-17)9-10-36/h6-7,11-12,16-18,36H,4-5,8-10,13-15H2,1-3H3/t16-,17+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545769
PNG
(CHEMBL4645325)
Show SMILES CC(C)C(=O)NCCN1CCC[C@@H](C1)C1CN(C1)c1cnc2c(C)nn([C@H](C)c3ccc(Cl)cc3Cl)c2n1 |r|
Show InChI InChI=1S/C28H37Cl2N7O/c1-17(2)28(38)31-9-11-35-10-5-6-20(14-35)21-15-36(16-21)25-13-32-26-18(3)34-37(27(26)33-25)19(4)23-8-7-22(29)12-24(23)30/h7-8,12-13,17,19-21H,5-6,9-11,14-16H2,1-4H3,(H,31,38)/t19-,20+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545771
PNG
(CHEMBL4639600)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(Cc2cnc[nH]2)C1 |r|
Show InChI InChI=1S/C26H27Cl2N9/c1-16(21-5-4-19(27)7-22(21)28)37-26-25(23(8-29)34-37)31-10-24(33-26)36-12-18(13-36)17-3-2-6-35(11-17)14-20-9-30-15-32-20/h4-5,7,9-10,15-18H,2-3,6,11-14H2,1H3,(H,30,32)/t16-,17+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545762
PNG
(CHEMBL4647117)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCCS(C)(=O)=O)C1 |r|
Show InChI InChI=1S/C26H34Cl2N6O2S/c1-17-25-26(34(31-17)18(2)22-8-7-21(27)12-23(22)28)30-24(13-29-25)33-15-20(16-33)19-6-4-9-32(14-19)10-5-11-37(3,35)36/h7-8,12-13,18-20H,4-6,9-11,14-16H2,1-3H3/t18-,19+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545778
PNG
(CHEMBL4637143)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r|
Show InChI InChI=1S/C24H27Cl2N7O/c1-15(19-5-4-18(25)9-20(19)26)33-24-23(21(10-27)30-33)28-11-22(29-24)32-13-17(14-32)16-3-2-6-31(12-16)7-8-34/h4-5,9,11,15-17,34H,2-3,6-8,12-14H2,1H3/t15-,16+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545770
PNG
(CHEMBL4641595)
Show SMILES COC(=O)NCCN1CCC[C@@H](C1)C1CN(C1)c1cnc2c(C)nn([C@H](C)c3ccc(Cl)cc3Cl)c2n1 |r|
Show InChI InChI=1S/C26H33Cl2N7O2/c1-16-24-25(35(32-16)17(2)21-7-6-20(27)11-22(21)28)31-23(12-30-24)34-14-19(15-34)18-5-4-9-33(13-18)10-8-29-26(36)37-3/h6-7,11-12,17-19H,4-5,8-10,13-15H2,1-3H3,(H,29,36)/t17-,18+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374633
PNG
(6-((3R,4S)-4-(Azepan-1-yl)-3-methylpiperidin-1-yl)...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCCCCC1 |r|
Show InChI InChI=1S/C26H34Cl2N6/c1-17-16-33(13-10-23(17)32-11-6-4-5-7-12-32)24-15-29-25-18(2)31-34(26(25)30-24)19(3)21-9-8-20(27)14-22(21)28/h8-9,14-15,17,19,23H,4-7,10-13,16H2,1-3H3/t17-,19-,23+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545777
PNG
(CHEMBL4634054)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r|
Show InChI InChI=1S/C24H30Cl2N6O/c1-15-23-24(32(29-15)16(2)20-6-5-19(25)10-21(20)26)28-22(11-27-23)31-13-18(14-31)17-4-3-7-30(12-17)8-9-33/h5-6,10-11,16-18,33H,3-4,7-9,12-14H2,1-2H3/t16-,17+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545781
PNG
(CHEMBL4633133)
Show SMILES CNC(=O)c1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(cnc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r|
Show InChI InChI=1S/C25H31Cl2N7O2/c1-15(19-6-5-18(26)10-20(19)27)34-24-22(23(31-34)25(36)28-2)29-11-21(30-24)33-13-17(14-33)16-4-3-7-32(12-16)8-9-35/h5-6,10-11,15-17,35H,3-4,7-9,12-14H2,1-2H3,(H,28,36)/t15-,16+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374652
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((3R,4S)-4-(...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO |r|
Show InChI InChI=1S/C25H29Cl2N7O/c1-15-13-32(9-7-22(15)33-8-3-4-18(33)14-35)23-12-29-24-21(11-28)31-34(25(24)30-23)16(2)19-6-5-17(26)10-20(19)27/h5-6,10,12,15-16,18,22,35H,3-4,7-9,13-14H2,1-2H3/t15-,16-,18+,22+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545773
PNG
(CHEMBL4633494)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCC#N)C1 |r|
Show InChI InChI=1S/C25H26Cl2N8/c1-16(20-6-5-19(26)10-21(20)27)35-25-24(22(11-29)32-35)30-12-23(31-25)34-14-18(15-34)17-4-2-8-33(13-17)9-3-7-28/h5-6,10,12,16-18H,2-4,8-9,13-15H2,1H3/t16-,17+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545759
PNG
(CHEMBL4647188)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCNS(C)(=O)=O)C1 |r|
Show InChI InChI=1S/C25H33Cl2N7O2S/c1-16-24-25(34(31-16)17(2)21-7-6-20(26)11-22(21)27)30-23(12-28-24)33-14-19(15-33)18-5-4-9-32(13-18)10-8-29-37(3,35)36/h6-7,11-12,17-19,29H,4-5,8-10,13-15H2,1-3H3/t17-,18+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545760
PNG
(CHEMBL4636749)
Show SMILES CC(C)S(=O)(=O)NCCN1CCC[C@@H](C1)C1CN(C1)c1cnc2c(C)nn([C@H](C)c3ccc(Cl)cc3Cl)c2n1 |r|
Show InChI InChI=1S/C27H37Cl2N7O2S/c1-17(2)39(37,38)31-9-11-34-10-5-6-20(14-34)21-15-35(16-21)25-13-30-26-18(3)33-36(27(26)32-25)19(4)23-8-7-22(28)12-24(23)29/h7-8,12-13,17,19-21,31H,5-6,9-11,14-16H2,1-4H3/t19-,20+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374650
PNG
(((S)-1-((3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl)et...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO |r|
Show InChI InChI=1S/C25H32Cl2N6O/c1-15-13-31(10-8-22(15)32-9-4-5-19(32)14-34)23-12-28-24-16(2)30-33(25(24)29-23)17(3)20-7-6-18(26)11-21(20)27/h6-7,11-12,15,17,19,22,34H,4-5,8-10,13-14H2,1-3H3/t15-,17-,19+,22+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50516634
PNG
(CHEMBL4473604)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CCS(N)(=O)=O |r|
Show InChI InChI=1S/C26H35Cl2N7O2S/c1-16-15-33(11-8-23(16)34-10-4-5-20(34)9-12-38(29,36)37)24-14-30-25-17(2)32-35(26(25)31-24)18(3)21-7-6-19(27)13-22(21)28/h6-7,13-14,16,18,20,23H,4-5,8-12,15H2,1-3H3,(H2,29,36,37)/t16-,18-,20+,23+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545778
PNG
(CHEMBL4637143)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r|
Show InChI InChI=1S/C24H27Cl2N7O/c1-15(19-5-4-18(25)9-20(19)26)33-24-23(21(10-27)30-33)28-11-22(29-24)32-13-17(14-32)16-3-2-6-31(12-16)7-8-34/h4-5,9,11,15-17,34H,2-3,6-8,12-14H2,1H3/t15-,16+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4 in human Treg cells assessed as inhibition of CCL22-mediated chemotaxis preincubated for 30 mins followed by CCL22 additi...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50516626
PNG
(CHEMBL4475665)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CC[C@@H]([C@H](C)C1)N1CCC[C@H]1C |r,t:24|
Show InChI InChI=1S/C26H28Cl2N6/c1-15-11-18(6-9-24(15)33-10-4-5-16(33)2)23-14-30-25-22(13-29)32-34(26(25)31-23)17(3)20-8-7-19(27)12-21(20)28/h6-8,12,14-17,24H,4-5,9-11H2,1-3H3/t15-,16-,17-,24+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545766
PNG
(CHEMBL4645037)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CC(O)=O)C1 |r|
Show InChI InChI=1S/C24H25Cl2N7O2/c1-14(18-5-4-17(25)7-19(18)26)33-24-23(20(8-27)30-33)28-9-21(29-24)32-11-16(12-32)15-3-2-6-31(10-15)13-22(34)35/h4-5,7,9,14-16H,2-3,6,10-13H2,1H3,(H,34,35)/t14-,15+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50516632
PNG
(CHEMBL4443688)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)C1=CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO |r,t:23|
Show InChI InChI=1S/C26H31Cl2N5O/c1-15-11-18(6-9-24(15)32-10-4-5-20(32)14-34)23-13-29-25-16(2)31-33(26(25)30-23)17(3)21-8-7-19(27)12-22(21)28/h6-8,12-13,15,17,20,24,34H,4-5,9-11,14H2,1-3H3/t15-,17-,20+,24+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545779
PNG
(CHEMBL4642563)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C(N)=O)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r|
Show InChI InChI=1S/C24H29Cl2N7O2/c1-14(18-5-4-17(25)9-19(18)26)33-24-22(21(30-33)23(27)35)28-10-20(29-24)32-12-16(13-32)15-3-2-6-31(11-15)7-8-34/h4-5,9-10,14-16,34H,2-3,6-8,11-13H2,1H3,(H2,27,35)/t14-,15+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4 in human CCRF-CEM cells assessed as inhibition of CCL22-mediated chemotaxis preincubated for 30 mins followed by CCL22 ad...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50516623
PNG
(CHEMBL4575089)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CCC(N)=O |r|
Show InChI InChI=1S/C27H35Cl2N7O/c1-16-15-34(12-10-23(16)35-11-4-5-20(35)7-9-24(30)37)25-14-31-26-17(2)33-36(27(26)32-25)18(3)21-8-6-19(28)13-22(21)29/h6,8,13-14,16,18,20,23H,4-5,7,9-12,15H2,1-3H3,(H2,30,37)/t16-,18-,20+,23+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545776
PNG
(CHEMBL4641873)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCCO)C1 |r|
Show InChI InChI=1S/C25H32Cl2N6O/c1-16-24-25(33(30-16)17(2)21-7-6-20(26)11-22(21)27)29-23(12-28-24)32-14-19(15-32)18-5-3-8-31(13-18)9-4-10-34/h6-7,11-12,17-19,34H,3-5,8-10,13-15H2,1-2H3/t17-,18+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Mus musculus)		BDBM50545778
PNG
(CHEMBL4637143)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r|
Show InChI InChI=1S/C24H27Cl2N7O/c1-15(19-5-4-18(25)9-20(19)26)33-24-23(21(10-27)30-33)28-11-22(29-24)32-13-17(14-32)16-3-2-6-31(12-16)7-8-34/h4-5,9,11,15-17,34H,2-3,6-8,12-14H2,1H3/t15-,16+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4 in mouse Treg cells assessed as inhibition of CCL22-mediated chemotaxis preincubated for 30 mins followed by CCL22 additi...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545768
PNG
(CHEMBL4641127)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCNC(C)=O)C1 |r|
Show InChI InChI=1S/C26H33Cl2N7O/c1-16-25-26(35(32-16)17(2)22-7-6-21(27)11-23(22)28)31-24(12-30-25)34-14-20(15-34)19-5-4-9-33(13-19)10-8-29-18(3)36/h6-7,11-12,17,19-20H,4-5,8-10,13-15H2,1-3H3,(H,29,36)/t17-,19+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4 in human CCRF-CEM cells assessed as inhibition of CCL22-mediated chemotaxis preincubated for 30 mins followed by CCL22 ad...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50516625
PNG
(CHEMBL4459231)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO |r,t:24|
Show InChI InChI=1S/C26H28Cl2N6O/c1-15-10-17(5-8-24(15)33-9-3-4-19(33)14-35)23-13-30-25-22(12-29)32-34(26(25)31-23)16(2)20-7-6-18(27)11-21(20)28/h5-7,11,13,15-16,19,24,35H,3-4,8-10,14H2,1-2H3/t15-,16-,19+,24+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50516635
PNG
(CHEMBL4518040)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CCC#N |r|
Show InChI InChI=1S/C27H33Cl2N7/c1-17-16-34(13-10-24(17)35-12-5-7-21(35)6-4-11-30)25-15-31-26-18(2)33-36(27(26)32-25)19(3)22-9-8-20(28)14-23(22)29/h8-9,14-15,17,19,21,24H,4-7,10,12-13,16H2,1-3H3/t17-,19-,21-,24+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545767
PNG
(CHEMBL4640439)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCC(N)=O)C1 |r|
Show InChI InChI=1S/C25H31Cl2N7O/c1-15-24-25(34(31-15)16(2)20-6-5-19(26)10-21(20)27)30-23(11-29-24)33-13-18(14-33)17-4-3-8-32(12-17)9-7-22(28)35/h5-6,10-11,16-18H,3-4,7-9,12-14H2,1-2H3,(H2,28,35)/t16-,17+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50516633
PNG
(CHEMBL4465359)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCCCC1 |r|
Show InChI InChI=1S/C25H32Cl2N6/c1-16-15-32(12-9-22(16)31-10-5-4-6-11-31)23-14-28-24-17(2)30-33(25(24)29-23)18(3)20-8-7-19(26)13-21(20)27/h7-8,13-14,16,18,22H,4-6,9-12,15H2,1-3H3/t16-,18-,22+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50516626
PNG
(CHEMBL4475665)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CC[C@@H]([C@H](C)C1)N1CCC[C@H]1C |r,t:24|
Show InChI InChI=1S/C26H28Cl2N6/c1-15-11-18(6-9-24(15)33-10-4-5-16(33)2)23-14-30-25-22(13-29)32-34(26(25)31-23)17(3)20-8-7-19(27)12-21(20)28/h6-8,12,14-17,24H,4-5,9-11H2,1-3H3/t15-,16-,17-,24+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4 in human CCRF-CEM cells assessed as inhibition of CCL22-mediated chemotaxis in presence of 100% human serum pre-incubated...

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545765
PNG
(CHEMBL4639418)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCC(O)=O)C1 |r|
Show InChI InChI=1S/C25H27Cl2N7O2/c1-15(19-5-4-18(26)9-20(19)27)34-25-24(21(10-28)31-34)29-11-22(30-25)33-13-17(14-33)16-3-2-7-32(12-16)8-6-23(35)36/h4-5,9,11,15-17H,2-3,6-8,12-14H2,1H3,(H,35,36)/t15-,16+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374639
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-6-((3...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1C |r|
Show InChI InChI=1S/C25H32Cl2N6/c1-15-14-31(11-9-22(15)32-10-5-6-16(32)2)23-13-28-24-17(3)30-33(25(24)29-23)18(4)20-8-7-19(26)12-21(20)27/h7-8,12-13,15-16,18,22H,5-6,9-11,14H2,1-4H3/t15-,16-,18-,22+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545778
PNG
(CHEMBL4637143)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r|
Show InChI InChI=1S/C24H27Cl2N7O/c1-15(19-5-4-18(25)9-20(19)26)33-24-23(21(10-27)30-33)28-11-22(29-24)32-13-17(14-32)16-3-2-6-31(12-16)7-8-34/h4-5,9,11,15-17,34H,2-3,6-8,12-14H2,1H3/t15-,16+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4 in human CCRF-CEM cells assessed as inhibition of CCL22-mediated chemotaxis preincubated for 30 mins followed by CCL22 ad...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50516621
PNG
(CHEMBL4483537)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CC[C@@H]([C@H](C)C1)N1CCC[C@H]1C(N)=O |r,t:24|
Show InChI InChI=1S/C26H27Cl2N7O/c1-14-10-16(5-8-22(14)34-9-3-4-23(34)25(30)36)21-13-31-24-20(12-29)33-35(26(24)32-21)15(2)18-7-6-17(27)11-19(18)28/h5-7,11,13-15,22-23H,3-4,8-10H2,1-2H3,(H2,30,36)/t14-,15-,22+,23+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50516627
PNG
(CHEMBL4522437)
Show SMILES C[C@@H](Nc1cncc(n1)C1=CCN(CC1)C(=O)[C@H]1CCCCN1)c1ccc(Cl)cc1Cl |r,t:10|
Show InChI InChI=1S/C23H27Cl2N5O/c1-15(18-6-5-17(24)12-19(18)25)28-22-14-26-13-21(29-22)16-7-10-30(11-8-16)23(31)20-4-2-3-9-27-20/h5-7,12-15,20,27H,2-4,8-11H2,1H3,(H,28,29)/t15-,20-/m1/s1
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n/an/a 54n/an/an/an/an/an/a



RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374632
PNG
(6-((3R,4S)-4-(Azetidin-1-yl)-3-methylpiperidin-1-y...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC1 |r|
Show InChI InChI=1S/C23H28Cl2N6/c1-14-13-30(10-7-20(14)29-8-4-9-29)21-12-26-22-15(2)28-31(23(22)27-21)16(3)18-6-5-17(24)11-19(18)25/h5-6,11-12,14,16,20H,4,7-10,13H2,1-3H3/t14-,16-,20+/m1/s1
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n/an/a 58n/an/an/an/an/an/a



RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374652
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((3R,4S)-4-(...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO |r|
Show InChI InChI=1S/C25H29Cl2N7O/c1-15-13-32(9-7-22(15)33-8-3-4-18(33)14-35)23-12-29-24-21(11-28)31-34(25(24)30-23)16(2)19-6-5-17(26)10-20(19)27/h5-6,10,12,15-16,18,22,35H,3-4,7-9,13-14H2,1-2H3/t15-,16-,18+,22+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4 in human CCRF-CEM cells assessed as inhibition of CCL22-mediated chemotaxis in presence of 100% human serum pre-incubated...

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545769
PNG
(CHEMBL4645325)
Show SMILES CC(C)C(=O)NCCN1CCC[C@@H](C1)C1CN(C1)c1cnc2c(C)nn([C@H](C)c3ccc(Cl)cc3Cl)c2n1 |r|
Show InChI InChI=1S/C28H37Cl2N7O/c1-17(2)28(38)31-9-11-35-10-5-6-20(14-35)21-15-36(16-21)25-13-32-26-18(3)34-37(27(26)33-25)19(4)23-8-7-22(29)12-24(23)30/h7-8,12-13,17,19-21H,5-6,9-11,14-16H2,1-4H3,(H,31,38)/t19-,20+/m1/s1
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n/an/a 59n/an/an/an/an/an/a



RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4 in human CCRF-CEM cells assessed as inhibition of CCL22-mediated chemotaxis preincubated for 30 mins followed by CCL22 ad...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545778
PNG
(CHEMBL4637143)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r|
Show InChI InChI=1S/C24H27Cl2N7O/c1-15(19-5-4-18(25)9-20(19)26)33-24-23(21(10-27)30-33)28-11-22(29-24)32-13-17(14-32)16-3-2-6-31(12-16)7-8-34/h4-5,9,11,15-17,34H,2-3,6-8,12-14H2,1H3/t15-,16+/m1/s1
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n/an/a 64n/an/an/an/an/an/a



RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4 in human CCRF-CEM cells assessed as inhibition of CCL17-mediated chemotaxis preincubated for 30 mins followed by CCL17 ad...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545763
PNG
(CHEMBL4638846)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCCC(O)=O)C1 |r|
Show InChI InChI=1S/C26H32Cl2N6O2/c1-16-25-26(34(31-16)17(2)21-8-7-20(27)11-22(21)28)30-23(12-29-25)33-14-19(15-33)18-5-3-9-32(13-18)10-4-6-24(35)36/h7-8,11-12,17-19H,3-6,9-10,13-15H2,1-2H3,(H,35,36)/t17-,18+/m1/s1
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n/an/a 69n/an/an/an/an/an/a



RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50516629
PNG
(CHEMBL4566304)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCCC1 |r|
Show InChI InChI=1S/C24H30Cl2N6/c1-15-14-31(11-8-21(15)30-9-4-5-10-30)22-13-27-23-16(2)29-32(24(23)28-22)17(3)19-7-6-18(25)12-20(19)26/h6-7,12-13,15,17,21H,4-5,8-11,14H2,1-3H3/t15-,17-,21+/m1/s1
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n/an/a 69n/an/an/an/an/an/a



RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50516625
PNG
(CHEMBL4459231)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO |r,t:24|
Show InChI InChI=1S/C26H28Cl2N6O/c1-15-10-17(5-8-24(15)33-9-3-4-19(33)14-35)23-13-30-25-22(12-29)32-34(26(25)31-23)16(2)20-7-6-18(27)11-21(20)28/h5-7,11,13,15-16,19,24,35H,3-4,8-10,14H2,1-2H3/t15-,16-,19+,24+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4 in human CCRF-CEM cells assessed as inhibition of CCL22-mediated chemotaxis in presence of 100% human serum pre-incubated...

J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545777
PNG
(CHEMBL4634054)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r|
Show InChI InChI=1S/C24H30Cl2N6O/c1-15-23-24(32(29-15)16(2)20-6-5-19(25)10-21(20)26)28-22(11-27-23)31-13-18(14-31)17-4-3-7-30(12-17)8-9-33/h5-6,10-11,16-18,33H,3-4,7-9,12-14H2,1-2H3/t16-,17+/m1/s1
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n/an/a 74n/an/an/an/an/an/a



RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4 in human CCRF-CEM cells assessed as inhibition of CCL22-mediated chemotaxis preincubated for 30 mins followed by CCL22 ad...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545761
PNG
(CHEMBL4633920)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCS(C)(=O)=O)C1 |r|
Show InChI InChI=1S/C25H32Cl2N6O2S/c1-16-24-25(33(30-16)17(2)21-7-6-20(26)11-22(21)27)29-23(12-28-24)32-14-19(15-32)18-5-4-8-31(13-18)9-10-36(3,34)35/h6-7,11-12,17-19H,4-5,8-10,13-15H2,1-3H3/t17-,18+/m1/s1
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n/an/a 77n/an/an/an/an/an/a



RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545758
PNG
(CHEMBL4643609)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCS(N)(=O)=O)C1 |r|
Show InChI InChI=1S/C24H31Cl2N7O2S/c1-15-23-24(33(30-15)16(2)20-6-5-19(25)10-21(20)26)29-22(11-28-23)32-13-18(14-32)17-4-3-7-31(12-17)8-9-36(27,34)35/h5-6,10-11,16-18H,3-4,7-9,12-14H2,1-2H3,(H2,27,34,35)/t16-,17+/m1/s1
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n/an/a 84n/an/an/an/an/an/a



RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545764
PNG
(CHEMBL4643158)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCC(O)=O)C1 |r|
Show InChI InChI=1S/C25H30Cl2N6O2/c1-15-24-25(33(30-15)16(2)20-6-5-19(26)10-21(20)27)29-22(11-28-24)32-13-18(14-32)17-4-3-8-31(12-17)9-7-23(34)35/h5-6,10-11,16-18H,3-4,7-9,12-14H2,1-2H3,(H,34,35)/t16-,17+/m1/s1
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n/an/a 91n/an/an/an/an/an/a



RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545771
PNG
(CHEMBL4639600)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(Cc2cnc[nH]2)C1 |r|
Show InChI InChI=1S/C26H27Cl2N9/c1-16(21-5-4-19(27)7-22(21)28)37-26-25(23(8-29)34-37)31-10-24(33-26)36-12-18(13-36)17-3-2-6-35(11-17)14-20-9-30-15-32-20/h4-5,7,9-10,15-18H,2-3,6,11-14H2,1H3,(H,30,32)/t16-,17+/m1/s1
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RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4 in human CCRF-CEM cells assessed as inhibition of CCL22-mediated chemotaxis preincubated for 30 mins followed by CCL22 ad...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374671
PNG
(2-((S)-1-((3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl)...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC([C@H](C)C1)N1CCC[C@H]1CCS(N)(=O)=O |r|
Show InChI InChI=1S/C26H35Cl2N7O2S/c1-16-15-33(11-8-23(16)34-10-4-5-20(34)9-12-38(29,36)37)24-14-30-25-17(2)32-35(26(25)31-24)18(3)21-7-6-19(27)13-22(21)28/h6-7,13-14,16,18,20,23H,4-5,8-12,15H2,1-3H3,(H2,29,36,37)/t16-,18-,20+,23?/m1/s1
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n/an/a<100n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374639
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-6-((3...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1C |r|
Show InChI InChI=1S/C25H32Cl2N6/c1-15-14-31(11-9-22(15)32-10-5-6-16(32)2)23-13-28-24-17(3)30-33(25(24)29-23)18(4)20-8-7-19(26)12-21(20)27/h7-8,12-13,15-16,18,22H,5-6,9-11,14H2,1-4H3/t15-,16-,18-,22+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
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