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Compile Data Set for Download or QSAR

Found 1894 hits with Last Name = 'gigstad' and Initial = 'km'   
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 8


(Homo sapiens (Human))		BDBM50203905
PNG
(4-(4-benzoylamino-naphthalene-1-sulfonylamino)-pip...)
Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H27N3O5S/c1-2-33-25(30)28-16-14-19(15-17-28)27-34(31,32)23-13-12-22(20-10-6-7-11-21(20)23)26-24(29)18-8-4-3-5-9-18/h3-13,19,27H,2,14-17H2,1H3,(H,26,29)
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 0.170n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203831
PNG
(CHEMBL374939 | N-(4-{[(1-butyrylpiperidin-4-yl)ami...)
Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C27H31N3O4S/c1-3-8-26(31)30-17-15-20(16-18-30)29-35(33,34)25-14-13-24(22-11-6-7-12-23(22)25)28-27(32)21-10-5-4-9-19(21)2/h4-7,9-14,20,29H,3,8,15-18H2,1-2H3,(H,28,32)
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 0.300n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203832
PNG
(4-[4-(2-methyl-benzoylamino)-naphthalene-1-sulfony...)
Show SMILES CNC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C25H28N4O4S/c1-17-7-3-4-8-19(17)24(30)27-22-11-12-23(21-10-6-5-9-20(21)22)34(32,33)28-18-13-15-29(16-14-18)25(31)26-2/h3-12,18,28H,13-16H2,1-2H3,(H,26,31)(H,27,30)
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 0.700n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203834
PNG
(2-methyl-N-{4-[({1-[(2S)-pyrrolidin-2-ylcarbonyl]p...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C28H32N4O4S/c1-19-7-2-3-8-21(19)27(33)30-24-12-13-26(23-10-5-4-9-22(23)24)37(35,36)31-20-14-17-32(18-15-20)28(34)25-11-6-16-29-25/h2-5,7-10,12-13,20,25,29,31H,6,11,14-18H2,1H3,(H,30,33)/t25-/m0/s1
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 0.700n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203834
PNG
(2-methyl-N-{4-[({1-[(2S)-pyrrolidin-2-ylcarbonyl]p...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C28H32N4O4S/c1-19-7-2-3-8-21(19)27(33)30-24-12-13-26(23-10-5-4-9-22(23)24)37(35,36)31-20-14-17-32(18-15-20)28(34)25-11-6-16-29-25/h2-5,7-10,12-13,20,25,29,31H,6,11,14-18H2,1H3,(H,30,33)/t25-/m0/s1
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 0.700n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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 1.09n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain

J Med Chem 45: 3524-30 (2002)


BindingDB Entry DOI: 10.7270/Q2959J8R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203919
PNG
(2-methyl-N-[4-({[1-(pyrrolidin-1-ylcarbonyl)piperi...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C28H32N4O4S/c1-20-8-2-3-9-22(20)27(33)29-25-12-13-26(24-11-5-4-10-23(24)25)37(35,36)30-21-14-18-32(19-15-21)28(34)31-16-6-7-17-31/h2-5,8-13,21,30H,6-7,14-19H2,1H3,(H,29,33)
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 1.10n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203914
PNG
(CHEMBL375854 | N-[4-({[1-(azetidin-3-ylcarbonyl)pi...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)C1CNC1
Show InChI InChI=1S/C27H30N4O4S/c1-18-6-2-3-7-21(18)26(32)29-24-10-11-25(23-9-5-4-8-22(23)24)36(34,35)30-20-12-14-31(15-13-20)27(33)19-16-28-17-19/h2-11,19-20,28,30H,12-17H2,1H3,(H,29,32)
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 1.5n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203920
PNG
(CHEMBL221867 | N-{4-[1-(4-amino-butyryl)-piperidin...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)CCCN
Show InChI InChI=1S/C27H32N4O4S/c1-19-7-2-3-8-21(19)27(33)29-24-12-13-25(23-10-5-4-9-22(23)24)36(34,35)30-20-14-17-31(18-15-20)26(32)11-6-16-28/h2-5,7-10,12-13,20,30H,6,11,14-18,28H2,1H3,(H,29,33)
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 1.60n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203871
PNG
(4-({[4-(benzoylamino)-1-naphthyl]sulfonyl}amino)-N...)
Show SMILES CN(C)C(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C26H30N4O4S/c1-18-8-4-5-9-20(18)25(31)27-23-12-13-24(22-11-7-6-10-21(22)23)35(33,34)28-19-14-16-30(17-15-19)26(32)29(2)3/h4-13,19,28H,14-17H2,1-3H3,(H,27,31)
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 1.60n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203881
PNG
(4-[4-(2-methyl-benzoylamino)-naphthalene-1-sulfony...)
Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C26H29N3O5S/c1-3-34-26(31)29-16-14-19(15-17-29)28-35(32,33)24-13-12-23(21-10-6-7-11-22(21)24)27-25(30)20-9-5-4-8-18(20)2/h4-13,19,28H,3,14-17H2,1-2H3,(H,27,30)
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 1.60n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203859
PNG
(4-[4-(2-methyl-benzoylamino)-naphthalene-1-sulfony...)
Show SMILES CCNC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C26H30N4O4S/c1-3-27-26(32)30-16-14-19(15-17-30)29-35(33,34)24-13-12-23(21-10-6-7-11-22(21)24)28-25(31)20-9-5-4-8-18(20)2/h4-13,19,29H,3,14-17H2,1-2H3,(H,27,32)(H,28,31)
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 2.20n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203857
PNG
(CHEMBL218037 | ethyl 4-({[5-(benzoylamino)-1-napht...)
Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1cccc2c(NC(=O)c3ccccc3)cccc12
Show InChI InChI=1S/C25H27N3O5S/c1-2-33-25(30)28-16-14-19(15-17-28)27-34(31,32)23-13-7-10-20-21(23)11-6-12-22(20)26-24(29)18-8-4-3-5-9-18/h3-13,19,27H,2,14-17H2,1H3,(H,26,29)
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 2.30n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203900
PNG
(2-methyl-N-[4-(1-propionyl-piperidin-4-ylsulfamoyl...)
Show SMILES CCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C26H29N3O4S/c1-3-25(30)29-16-14-19(15-17-29)28-34(32,33)24-13-12-23(21-10-6-7-11-22(21)24)27-26(31)20-9-5-4-8-18(20)2/h4-13,19,28H,3,14-17H2,1-2H3,(H,27,31)
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 2.5n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50116621
PNG
(3-[7-Amino-4-methyl-2-(3-phenyl-propyl)-2-aza-bicy...)
Show SMILES CC1CN(CCCc2ccccc2)C2C[C@H](N)CC1(C2)c1cccc(O)c1 |TLB:16:15:19:3.1.2,THB:0:1:19:14.17.15,4:3:19:14.17.15|
Show InChI InChI=1S/C24H32N2O/c1-18-17-26(12-6-9-19-7-3-2-4-8-19)22-14-21(25)15-24(18,16-22)20-10-5-11-23(27)13-20/h2-5,7-8,10-11,13,18,21-22,27H,6,9,12,14-17,25H2,1H3/t18?,21-,22?,24?/m0/s1
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 3.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from Opioid receptor mu 1 of rat brain

J Med Chem 45: 3524-30 (2002)


BindingDB Entry DOI: 10.7270/Q2959J8R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203853
PNG
(CHEMBL221130 | N-{4-[1-(azetidine-1-carbonyl)-pipe...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)N1CCC1
Show InChI InChI=1S/C27H30N4O4S/c1-19-7-2-3-8-21(19)26(32)28-24-11-12-25(23-10-5-4-9-22(23)24)36(34,35)29-20-13-17-31(18-14-20)27(33)30-15-6-16-30/h2-5,7-12,20,29H,6,13-18H2,1H3,(H,28,32)
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 3.5n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203849
PNG
(CHEMBL221904 | N-{4-[1-(2-amino-acetyl)-piperidin-...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)CN
Show InChI InChI=1S/C25H28N4O4S/c1-17-6-2-3-7-19(17)25(31)27-22-10-11-23(21-9-5-4-8-20(21)22)34(32,33)28-18-12-14-29(15-13-18)24(30)16-26/h2-11,18,28H,12-16,26H2,1H3,(H,27,31)
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 4.10n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203850
PNG
(2-methyl-N-{4-[1-(piperidine-1-carbonyl)-piperidin...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)N1CCCCC1
Show InChI InChI=1S/C29H34N4O4S/c1-21-9-3-4-10-23(21)28(34)30-26-13-14-27(25-12-6-5-11-24(25)26)38(36,37)31-22-15-19-33(20-16-22)29(35)32-17-7-2-8-18-32/h3-6,9-14,22,31H,2,7-8,15-20H2,1H3,(H,30,34)
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 4.20n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203882
PNG
(2-methyl-N-{4-[1-(4-methyl-piperazine-1-carbonyl)-...)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C29H35N5O4S/c1-21-7-3-4-8-23(21)28(35)30-26-11-12-27(25-10-6-5-9-24(25)26)39(37,38)31-22-13-15-33(16-14-22)29(36)34-19-17-32(2)18-20-34/h3-12,22,31H,13-20H2,1-2H3,(H,30,35)
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 4.20n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50116622
PNG
(CHEMBL117457 | N-[5-(3-Hydroxy-phenyl)-4-methyl-2-...)
Show SMILES CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCN1CCCCC1 |THB:0:1:17:13.14.15,4:3:17:13.14.15|
Show InChI InChI=1S/C31H43N3O2/c1-24-23-34(18-13-25-9-4-2-5-10-25)28-20-27(32-30(36)14-17-33-15-6-3-7-16-33)21-31(24,22-28)26-11-8-12-29(35)19-26/h2,4-5,8-12,19,24,27-28,35H,3,6-7,13-18,20-23H2,1H3,(H,32,36)/t24?,27-,28?,31?/m0/s1
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 4.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain

J Med Chem 45: 3524-30 (2002)


BindingDB Entry DOI: 10.7270/Q2959J8R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203837
PNG
(CHEMBL218503 | N-(4-cyclohexylsulfamoyl-naphthalen...)
Show SMILES O=C(Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H24N2O3S/c26-23(17-9-3-1-4-10-17)24-21-15-16-22(20-14-8-7-13-19(20)21)29(27,28)25-18-11-5-2-6-12-18/h1,3-4,7-10,13-16,18,25H,2,5-6,11-12H2,(H,24,26)
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 4.40n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50116624
PNG
(3-Guanidino-N-[5-(3-hydroxy-phenyl)-4-methyl-2-phe...)
Show SMILES CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCNC(N)=N |THB:0:1:17:13.14.15,4:3:17:13.14.15|
Show InChI InChI=1S/C27H37N5O2/c1-19-18-32(13-11-20-6-3-2-4-7-20)23-15-22(31-25(34)10-12-30-26(28)29)16-27(19,17-23)21-8-5-9-24(33)14-21/h2-9,14,19,22-23,33H,10-13,15-18H2,1H3,(H,31,34)(H4,28,29,30)/t19?,22-,23?,27?/m0/s1
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 5.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from Opioid receptor mu 1 of rat brain

J Med Chem 45: 3524-30 (2002)


BindingDB Entry DOI: 10.7270/Q2959J8R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203866
PNG
(4-(4-o-tolylcarbamoyl-naphthalene-1-sulfonylamino)...)
Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C26H29N3O5S/c1-3-34-26(31)29-16-14-19(15-17-29)28-35(32,33)24-13-12-22(20-9-5-6-10-21(20)24)25(30)27-23-11-7-4-8-18(23)2/h4-13,19,28H,3,14-17H2,1-2H3,(H,27,30)
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 5.21n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203878
PNG
(CHEMBL218036 | N-{4-[1-(2-hydroxy-acetyl)-piperidi...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C25H27N3O5S/c1-17-6-2-3-7-19(17)25(31)26-22-10-11-23(21-9-5-4-8-20(21)22)34(32,33)27-18-12-14-28(15-13-18)24(30)16-29/h2-11,18,27,29H,12-16H2,1H3,(H,26,31)
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 5.40n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203875
PNG
(2-methyl-N-[4-({[1-(morpholin-4-ylcarbonyl)piperid...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H32N4O5S/c1-20-6-2-3-7-22(20)27(33)29-25-10-11-26(24-9-5-4-8-23(24)25)38(35,36)30-21-12-14-31(15-13-21)28(34)32-16-18-37-19-17-32/h2-11,21,30H,12-19H2,1H3,(H,29,33)
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 6.30n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203910
PNG
(CHEMBL221977 | N-(4-{[(1-acetylpiperidin-4-yl)amin...)
Show SMILES CC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C25H27N3O4S/c1-17-7-3-4-8-20(17)25(30)26-23-11-12-24(22-10-6-5-9-21(22)23)33(31,32)27-19-13-15-28(16-14-19)18(2)29/h3-12,19,27H,13-16H2,1-2H3,(H,26,30)
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 6.70n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203925
PNG
(CHEMBL374979 | N-[4-(1-cyclopropanecarbonyl-piperi...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C27H29N3O4S/c1-18-6-2-3-7-21(18)26(31)28-24-12-13-25(23-9-5-4-8-22(23)24)35(33,34)29-20-14-16-30(17-15-20)27(32)19-10-11-19/h2-9,12-13,19-20,29H,10-11,14-17H2,1H3,(H,28,31)
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 7.20n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203921
PNG
(CHEMBL219433 | N-[4-(1-cyclopentanecarbonyl-piperi...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)C1CCCC1
Show InChI InChI=1S/C29H33N3O4S/c1-20-8-2-5-11-23(20)28(33)30-26-14-15-27(25-13-7-6-12-24(25)26)37(35,36)31-22-16-18-32(19-17-22)29(34)21-9-3-4-10-21/h2,5-8,11-15,21-22,31H,3-4,9-10,16-19H2,1H3,(H,30,33)
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 9.10n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203917
PNG
(4-(4-cyclohexylcarbamoyl-naphthalene-1-sulfonylami...)
Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(C(=O)NC2CCCCC2)c2ccccc12
Show InChI InChI=1S/C25H33N3O5S/c1-2-33-25(30)28-16-14-19(15-17-28)27-34(31,32)23-13-12-22(20-10-6-7-11-21(20)23)24(29)26-18-8-4-3-5-9-18/h6-7,10-13,18-19,27H,2-5,8-9,14-17H2,1H3,(H,26,29)
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 9.5n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203911
PNG
(CHEMBL220703 | N-{4-[1-(3-amino-propionyl)-piperid...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)CCN
Show InChI InChI=1S/C26H30N4O4S/c1-18-6-2-3-7-20(18)26(32)28-23-10-11-24(22-9-5-4-8-21(22)23)35(33,34)29-19-13-16-30(17-14-19)25(31)12-15-27/h2-11,19,29H,12-17,27H2,1H3,(H,28,32)
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 11.3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50116623
PNG
(4-Dimethylamino-N-[5-(3-hydroxy-phenyl)-4-methyl-2...)
Show SMILES CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCCN(C)C |THB:0:1:17:13.14.15,4:3:17:13.14.15|
Show InChI InChI=1S/C29H41N3O2/c1-22-21-32(16-14-23-9-5-4-6-10-23)26-18-25(30-28(34)13-8-15-31(2)3)19-29(22,20-26)24-11-7-12-27(33)17-24/h4-7,9-12,17,22,25-26,33H,8,13-16,18-21H2,1-3H3,(H,30,34)/t22?,25-,26?,29?/m0/s1
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 12n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain

J Med Chem 45: 3524-30 (2002)


BindingDB Entry DOI: 10.7270/Q2959J8R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50116620
PNG
(4-Guanidino-N-[5-(3-hydroxy-phenyl)-4-methyl-2-phe...)
Show SMILES CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCCNC(N)=N |THB:0:1:17:13.14.15,4:3:17:13.14.15|
Show InChI InChI=1S/C28H39N5O2/c1-20-19-33(14-12-21-7-3-2-4-8-21)24-16-23(32-26(35)11-6-13-31-27(29)30)17-28(20,18-24)22-9-5-10-25(34)15-22/h2-5,7-10,15,20,23-24,34H,6,11-14,16-19H2,1H3,(H,32,35)(H4,29,30,31)/t20?,23-,24?,28?/m0/s1
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 13.2n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain

J Med Chem 45: 3524-30 (2002)


BindingDB Entry DOI: 10.7270/Q2959J8R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50116621
PNG
(3-[7-Amino-4-methyl-2-(3-phenyl-propyl)-2-aza-bicy...)
Show SMILES CC1CN(CCCc2ccccc2)C2C[C@H](N)CC1(C2)c1cccc(O)c1 |TLB:16:15:19:3.1.2,THB:0:1:19:14.17.15,4:3:19:14.17.15|
Show InChI InChI=1S/C24H32N2O/c1-18-17-26(12-6-9-19-7-3-2-4-8-19)22-14-21(25)15-24(18,16-22)20-10-5-11-23(27)13-20/h2-5,7-8,10-11,13,18,21-22,27H,6,9,12,14-17,25H2,1H3/t18?,21-,22?,24?/m0/s1
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 14.7n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to displace [3H]DADLE from Opioid receptor delta 1 of rat brain

J Med Chem 45: 3524-30 (2002)


BindingDB Entry DOI: 10.7270/Q2959J8R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203865
PNG
(4-(4-benzoylamino-naphthalene-1-sulfonylamino)-pip...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H31N3O5S/c1-27(2,3)35-26(32)30-17-15-20(16-18-30)29-36(33,34)24-14-13-23(21-11-7-8-12-22(21)24)28-25(31)19-9-5-4-6-10-19/h4-14,20,29H,15-18H2,1-3H3,(H,28,31)
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 15.2n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203855
PNG
(CHEMBL221961 | N-{4-[1-(2-methoxy-acetyl)-piperidi...)
Show SMILES COCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C26H29N3O5S/c1-18-7-3-4-8-20(18)26(31)27-23-11-12-24(22-10-6-5-9-21(22)23)35(32,33)28-19-13-15-29(16-14-19)25(30)17-34-2/h3-12,19,28H,13-17H2,1-2H3,(H,27,31)
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 15.8n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203889
PNG
(CHEMBL426207 | ethyl 4-({[4-(benzoyloxy)-1-naphthy...)
Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(OC(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H26N2O6S/c1-2-32-25(29)27-16-14-19(15-17-27)26-34(30,31)23-13-12-22(20-10-6-7-11-21(20)23)33-24(28)18-8-4-3-5-9-18/h3-13,19,26H,2,14-17H2,1H3
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 16.4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50116624
PNG
(3-Guanidino-N-[5-(3-hydroxy-phenyl)-4-methyl-2-phe...)
Show SMILES CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCNC(N)=N |THB:0:1:17:13.14.15,4:3:17:13.14.15|
Show InChI InChI=1S/C27H37N5O2/c1-19-18-32(13-11-20-6-3-2-4-7-20)23-15-22(31-25(34)10-12-30-26(28)29)16-27(19,17-23)21-8-5-9-24(33)14-21/h2-9,14,19,22-23,33H,10-13,15-18H2,1H3,(H,31,34)(H4,28,29,30)/t19?,22-,23?,27?/m0/s1
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 23.3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain

J Med Chem 45: 3524-30 (2002)


BindingDB Entry DOI: 10.7270/Q2959J8R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203895
PNG
(4-{4-[(3-phenyl-propylamino)-methyl]-naphthalene-1...)
Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NCCCc2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H33N3O4S/c1-2-34-27(31)30-19-16-22(17-20-30)29-35(32,33)26-15-14-25(23-12-6-7-13-24(23)26)28-18-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-15,22,28-29H,2,8,11,16-20H2,1H3
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 32.1n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203860
PNG
(((+/-)-N-(4-{[(1-butyrylpyrrolidin-3-yl)amino]sulf...)
Show SMILES CCCC(=O)N1CCC(C1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C26H29N3O4S/c1-3-8-25(30)29-16-15-19(17-29)28-34(32,33)24-14-13-23(21-11-6-7-12-22(21)24)27-26(31)20-10-5-4-9-18(20)2/h4-7,9-14,19,28H,3,8,15-17H2,1-2H3,(H,27,31)
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 34.3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203916
PNG
(4-[4-(phenethylamino-methyl)-naphthalene-1-sulfony...)
Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NCCc2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H31N3O4S/c1-2-33-26(30)29-18-15-21(16-19-29)28-34(31,32)25-13-12-24(22-10-6-7-11-23(22)25)27-17-14-20-8-4-3-5-9-20/h3-13,21,27-28H,2,14-19H2,1H3
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 35.7n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50116622
PNG
(CHEMBL117457 | N-[5-(3-Hydroxy-phenyl)-4-methyl-2-...)
Show SMILES CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCN1CCCCC1 |THB:0:1:17:13.14.15,4:3:17:13.14.15|
Show InChI InChI=1S/C31H43N3O2/c1-24-23-34(18-13-25-9-4-2-5-10-25)28-20-27(32-30(36)14-17-33-15-6-3-7-16-33)21-31(24,22-28)26-11-8-12-29(35)19-26/h2,4-5,8-12,19,24,27-28,35H,3,6-7,13-18,20-23H2,1H3,(H,32,36)/t24?,27-,28?,31?/m0/s1
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 36n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain

J Med Chem 45: 3524-30 (2002)


BindingDB Entry DOI: 10.7270/Q2959J8R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203928
PNG
(CHEMBL221789 | ethyl 4-(1-(benzyloxy)naphthalene-4...)
Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(OCc2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H28N2O5S/c1-2-31-25(28)27-16-14-20(15-17-27)26-33(29,30)24-13-12-23(21-10-6-7-11-22(21)24)32-18-19-8-4-3-5-9-19/h3-13,20,26H,2,14-18H2,1H3
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 37.9n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203868
PNG
(CHEMBL412116 | N-[4-(4-methoxy-phenylsulfamoyl)-na...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H20N2O4S/c1-30-19-13-11-18(12-14-19)26-31(28,29)23-16-15-22(20-9-5-6-10-21(20)23)25-24(27)17-7-3-2-4-8-17/h2-16,26H,1H3,(H,25,27)
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 42.6n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203846
PNG
(4-[4-(benzylamino-methyl)-naphthalene-1-sulfonylam...)
Show SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NCc2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H29N3O4S/c1-2-32-25(29)28-16-14-20(15-17-28)27-33(30,31)24-13-12-23(21-10-6-7-11-22(21)24)26-18-19-8-4-3-5-9-19/h3-13,20,26-27H,2,14-18H2,1H3
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 45.6n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203848
PNG
(CHEMBL217979 | N-(4-{[(1-butyrylazetidin-3-yl)amin...)
Show SMILES CCCC(=O)N1CC(C1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C25H27N3O4S/c1-3-8-24(29)28-15-18(16-28)27-33(31,32)23-14-13-22(20-11-6-7-12-21(20)23)26-25(30)19-10-5-4-9-17(19)2/h4-7,9-14,18,27H,3,8,15-16H2,1-2H3,(H,26,30)
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 50.9n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50116624
PNG
(3-Guanidino-N-[5-(3-hydroxy-phenyl)-4-methyl-2-phe...)
Show SMILES CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCNC(N)=N |THB:0:1:17:13.14.15,4:3:17:13.14.15|
Show InChI InChI=1S/C27H37N5O2/c1-19-18-32(13-11-20-6-3-2-4-7-20)23-15-22(31-25(34)10-12-30-26(28)29)16-27(19,17-23)21-8-5-9-24(33)14-21/h2-9,14,19,22-23,33H,10-13,15-18H2,1H3,(H,31,34)(H4,28,29,30)/t19?,22-,23?,27?/m0/s1
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 56.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to displace [3H]DADLE from Opioid receptor delta 1 of rat brain

J Med Chem 45: 3524-30 (2002)


BindingDB Entry DOI: 10.7270/Q2959J8R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50116623
PNG
(4-Dimethylamino-N-[5-(3-hydroxy-phenyl)-4-methyl-2...)
Show SMILES CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCCN(C)C |THB:0:1:17:13.14.15,4:3:17:13.14.15|
Show InChI InChI=1S/C29H41N3O2/c1-22-21-32(16-14-23-9-5-4-6-10-23)26-18-25(30-28(34)13-8-15-31(2)3)19-29(22,20-26)24-11-7-12-27(33)17-24/h4-7,9-12,17,22,25-26,33H,8,13-16,18-21H2,1-3H3,(H,30,34)/t22?,25-,26?,29?/m0/s1
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 57n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from Opioid receptor mu 1 of rat brain

J Med Chem 45: 3524-30 (2002)


BindingDB Entry DOI: 10.7270/Q2959J8R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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 65n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from Opioid receptor mu 1 of rat brain

J Med Chem 45: 3524-30 (2002)


BindingDB Entry DOI: 10.7270/Q2959J8R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203909
PNG
(4-[4-(2-methyl-benzoylamino)-naphthalene-1-sulfony...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)CCCN1CCOCC1
Show InChI InChI=1S/C31H38N4O5S/c1-23-7-2-3-8-25(23)31(37)32-28-12-13-29(27-10-5-4-9-26(27)28)41(38,39)33-24-14-17-35(18-15-24)30(36)11-6-16-34-19-21-40-22-20-34/h2-5,7-10,12-13,24,33H,6,11,14-22H2,1H3,(H,32,37)
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 71n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))		BDBM50203841
PNG
(4-[({4-[(2-methylbenzoyl)amino]-1-naphthyl}sulfony...)
Show SMILES CCCNC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C27H32N4O4S/c1-3-16-28-27(33)31-17-14-20(15-18-31)30-36(34,35)25-13-12-24(22-10-6-7-11-23(22)25)29-26(32)21-9-5-4-8-19(21)2/h4-13,20,30H,3,14-18H2,1-2H3,(H,28,33)(H,29,32)
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 77.4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay

J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
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