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PubMed code 11378374

Compile data set for download or QSAR
Found 39 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 3


(Homo sapiens (Human))		BDBM50100052
PNG
((R)-2-[(S)-2-[(Naphthalene-1-carbonyl)-amino]-3-(4...)
Show SMILES CCOC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H25N3O6/c1-3-34-25(31)16(2)26-24(30)22(15-17-11-13-19(14-12-17)28(32)33)27-23(29)21-10-6-8-18-7-4-5-9-20(18)21/h4-14,16,22H,3,15H2,1-2H3,(H,26,30)(H,27,29)/t16-,22+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100021
PNG
((S)-2-[(Naphthalene-1-carbonyl)-amino]-3-(4-nitro-...)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H18N2O5/c1-28-21(25)19(13-14-9-11-16(12-10-14)23(26)27)22-20(24)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,19H,13H2,1H3,(H,22,24)/t19-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100048
PNG
(CHEMBL418588 | Naphthalene-1-carboxylic acid [(S)-...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H26ClN3O3/c1-19(27(34)32-23-10-3-2-4-11-23)31-29(36)26(18-20-14-16-22(30)17-15-20)33-28(35)25-13-7-9-21-8-5-6-12-24(21)25/h2-17,19,26H,18H2,1H3,(H,31,36)(H,32,34)(H,33,35)/t19-,26-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100065
PNG
(CHEMBL36195 | Naphthalene-1-carboxylic acid {(S)-2...)
Show SMILES COc1ccc(C[C@H](NC(=O)c2cccc3ccccc23)C(=O)N[C@@H](C)C(=O)Nc2ccccc2OC)cc1
Show InChI InChI=1S/C31H31N3O5/c1-20(29(35)33-26-13-6-7-14-28(26)39-3)32-31(37)27(19-21-15-17-23(38-2)18-16-21)34-30(36)25-12-8-10-22-9-4-5-11-24(22)25/h4-18,20,27H,19H2,1-3H3,(H,32,37)(H,33,35)(H,34,36)/t20-,27-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100076
PNG
((R)-2-[(S)-2-[(Naphthalene-1-carbonyl)-amino]-3-(4...)
Show SMILES C[C@@H](NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C27H29N3O6/c1-17(26(33)36-27(2,3)4)28-25(32)23(16-18-12-14-20(15-13-18)30(34)35)29-24(31)22-11-7-9-19-8-5-6-10-21(19)22/h5-15,17,23H,16H2,1-4H3,(H,28,32)(H,29,31)/t17-,23+/m1/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100073
PNG
(CHEMBL32451 | Naphthalene-1-carboxylic acid {(S)-2...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc2ccccc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C28H25ClN4O3/c1-18(26(34)32-22-8-5-15-30-17-22)31-28(36)25(16-19-11-13-21(29)14-12-19)33-27(35)24-10-4-7-20-6-2-3-9-23(20)24/h2-15,17-18,25H,16H2,1H3,(H,31,36)(H,32,34)(H,33,35)/t18-,25-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100058
PNG
(CHEMBL284531 | N-{(S)-2-(4-Chloro-phenyl)-1-[(S)-1...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(C)cc1C)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C27H27Cl2N3O3/c1-16-4-13-23(17(2)14-16)26(34)32-24(15-19-5-7-20(28)8-6-19)27(35)30-18(3)25(33)31-22-11-9-21(29)10-12-22/h4-14,18,24H,15H2,1-3H3,(H,30,35)(H,31,33)(H,32,34)/t18-,24-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity of the compound against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100077
PNG
(CHEMBL35896 | Naphthalene-1-carboxylic acid {(S)-2...)
Show SMILES COc1ccc(NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H28ClN3O4/c1-19(28(35)33-23-14-16-24(38-2)17-15-23)32-30(37)27(18-20-10-12-22(31)13-11-20)34-29(36)26-9-5-7-21-6-3-4-8-25(21)26/h3-17,19,27H,18H2,1-2H3,(H,32,37)(H,33,35)(H,34,36)/t19-,27-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity of the compound against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100050
PNG
(CHEMBL33534 | Naphthalene-1-carboxylic acid [(S)-1...)
Show SMILES C[C@H](N(C)C(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C30H28N4O5/c1-20(28(35)31-23-11-4-3-5-12-23)33(2)30(37)27(19-21-15-17-24(18-16-21)34(38)39)32-29(36)26-14-8-10-22-9-6-7-13-25(22)26/h3-18,20,27H,19H2,1-2H3,(H,31,35)(H,32,36)/t20-,27-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100067
PNG
(CHEMBL418041 | Naphthalene-1-carboxylic acid {(S)-...)
Show SMILES COc1ccc(NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(cc2)C#N)NC(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C31H28N4O4/c1-20(29(36)34-24-14-16-25(39-2)17-15-24)33-31(38)28(18-21-10-12-22(19-32)13-11-21)35-30(37)27-9-5-7-23-6-3-4-8-26(23)27/h3-17,20,28H,18H2,1-2H3,(H,33,38)(H,34,36)(H,35,37)/t20-,28-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100080
PNG
(CHEMBL32410 | Naphthalene-1-carboxylic acid {(S)-2...)
Show SMILES [O-][N+](=O)c1ccc(C[C@H](NC(=O)c2cccc3ccccc23)C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C34H28N4O5/c39-32(29-17-9-13-24-10-7-8-16-28(24)29)36-30(22-23-18-20-27(21-19-23)38(42)43)33(40)37-31(25-11-3-1-4-12-25)34(41)35-26-14-5-2-6-15-26/h1-21,30-31H,22H2,(H,35,41)(H,36,39)(H,37,40)/t30-,31-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100049
PNG
(CHEMBL32852 | Naphthalene-1-carboxylic acid {(S)-2...)
Show SMILES COc1ccccc1NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(cc1)C#N)NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C31H28N4O4/c1-20(29(36)34-26-12-5-6-13-28(26)39-2)33-31(38)27(18-21-14-16-22(19-32)17-15-21)35-30(37)25-11-7-9-23-8-3-4-10-24(23)25/h3-17,20,27H,18H2,1-2H3,(H,33,38)(H,34,36)(H,35,37)/t20-,27-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100066
PNG
(CHEMBL32224 | Naphthalene-1-carboxylic acid [(S)-2...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H26N4O5/c1-19(27(34)31-22-10-3-2-4-11-22)30-29(36)26(18-20-14-16-23(17-15-20)33(37)38)32-28(35)25-13-7-9-21-8-5-6-12-24(21)25/h2-17,19,26H,18H2,1H3,(H,30,36)(H,31,34)(H,32,35)/t19-,26-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100054
PNG
(2-[(S)-1-[(Naphthalene-1-carbonyl)-amino]-2-(4-nit...)
Show SMILES CCOC(=O)C1COC(=N1)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12 |c:8|
Show InChI InChI=1S/C25H23N3O6/c1-2-33-25(30)22-15-34-24(27-22)21(14-16-10-12-18(13-11-16)28(31)32)26-23(29)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,21-22H,2,14-15H2,1H3,(H,26,29)/t21-,22?/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100078
PNG
(CHEMBL36223 | Naphthalene-1-carboxylic acid [(S)-1...)
Show SMILES COc1ccc(C[C@H](NC(=O)c2cccc3ccccc23)C(=O)N[C@@H](C)C(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C31H28N4O4/c1-20(29(36)34-24-14-10-22(19-32)11-15-24)33-31(38)28(18-21-12-16-25(39-2)17-13-21)35-30(37)27-9-5-7-23-6-3-4-8-26(23)27/h3-17,20,28H,18H2,1-2H3,(H,33,38)(H,34,36)(H,35,37)/t20-,28-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100057
PNG
(CHEMBL33537 | Naphthalene-1-carboxylic acid [(S)-1...)
Show SMILES CC(NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H28N4O5/c1-20(28(35)31-19-22-8-3-2-4-9-22)32-30(37)27(18-21-14-16-24(17-15-21)34(38)39)33-29(36)26-13-7-11-23-10-5-6-12-25(23)26/h2-17,20,27H,18-19H2,1H3,(H,31,35)(H,32,37)(H,33,36)/t20?,27-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100074
PNG
(2-[(S)-2-[(Naphthalene-1-carbonyl)-amino]-3-(4-nit...)
Show SMILES CCOC(=O)C(=C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H23N3O6/c1-3-34-25(31)16(2)26-24(30)22(15-17-11-13-19(14-12-17)28(32)33)27-23(29)21-10-6-8-18-7-4-5-9-20(18)21/h4-14,22H,2-3,15H2,1H3,(H,26,30)(H,27,29)/t22-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100082
PNG
((S)-2-[(S)-2-[(Naphthalene-1-carbonyl)-amino]-3-(4...)
Show SMILES CCOC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H25N3O6/c1-3-34-25(31)16(2)26-24(30)22(15-17-11-13-19(14-12-17)28(32)33)27-23(29)21-10-6-8-18-7-4-5-9-20(18)21/h4-14,16,22H,3,15H2,1-2H3,(H,26,30)(H,27,29)/t16-,22-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100063
PNG
(CHEMBL32806 | Naphthalene-1-carboxylic acid [(S)-2...)
Show SMILES [O-][N+](=O)c1ccc(C[C@H](NC(=O)c2cccc3ccccc23)C(=O)NCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C28H24N4O5/c33-26(30-21-9-2-1-3-10-21)18-29-28(35)25(17-19-13-15-22(16-14-19)32(36)37)31-27(34)24-12-6-8-20-7-4-5-11-23(20)24/h1-16,25H,17-18H2,(H,29,35)(H,30,33)(H,31,34)/t25-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100060
PNG
(2-[(S)-1-[(Naphthalene-1-carbonyl)-amino]-2-(4-nit...)
Show SMILES CCOC(=O)c1coc(n1)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H21N3O6/c1-2-33-25(30)22-15-34-24(27-22)21(14-16-10-12-18(13-11-16)28(31)32)26-23(29)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15,21H,2,14H2,1H3,(H,26,29)/t21-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100081
PNG
(CHEMBL284576 | Naphthalene-1-carboxylic acid {(S)-...)
Show SMILES COc1ccc(NC(=O)[C@H](C)NC(=O)[C@H](Cc2cscn2)NC(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C27H26N4O4S/c1-17(25(32)30-19-10-12-21(35-2)13-11-19)29-27(34)24(14-20-15-36-16-28-20)31-26(33)23-9-5-7-18-6-3-4-8-22(18)23/h3-13,15-17,24H,14H2,1-2H3,(H,29,34)(H,30,32)(H,31,33)/t17-,24-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100053
PNG
(CHEMBL32493 | Naphthalene-1-carboxylic acid [(S)-1...)
Show SMILES [O-][N+](=O)c1ccc(C[C@H](NC(=O)c2cccc3ccccc23)C2=NCCO2)cc1 |t:24|
Show InChI InChI=1S/C22H19N3O4/c26-21(19-7-3-5-16-4-1-2-6-18(16)19)24-20(22-23-12-13-29-22)14-15-8-10-17(11-9-15)25(27)28/h1-11,20H,12-14H2,(H,24,26)/t20-/m0/s1
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n/an/a 563n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100062
PNG
(CHEMBL284313 | Naphthalene-1-carboxylic acid {(S)-...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N4O3/c1-23(32(39)37-28-16-14-26(15-17-28)25-8-3-2-4-9-25)36-34(41)31(22-24-18-20-35-21-19-24)38-33(40)30-13-7-11-27-10-5-6-12-29(27)30/h2-21,23,31H,22H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t23-,31-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100047
PNG
(CHEMBL432088 | Naphthalene-1-carboxylic acid [(S)-...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12)C(=O)N(C)c1ccccc1
Show InChI InChI=1S/C30H28N4O5/c1-20(30(37)33(2)23-11-4-3-5-12-23)31-29(36)27(19-21-15-17-24(18-16-21)34(38)39)32-28(35)26-14-8-10-22-9-6-7-13-25(22)26/h3-18,20,27H,19H2,1-2H3,(H,31,36)(H,32,35)/t20-,27-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100072
PNG
(2-[(S)-1-[(Naphthalene-1-carbonyl)-amino]-2-(4-nit...)
Show SMILES CCOC(=O)c1csc(n1)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H21N3O5S/c1-2-33-25(30)22-15-34-24(27-22)21(14-16-10-12-18(13-11-16)28(31)32)26-23(29)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15,21H,2,14H2,1H3,(H,26,29)/t21-/m0/s1
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n/an/a 663n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100055
PNG
(CHEMBL32895 | Naphthalene-1-carboxylic acid [(S)-1...)
Show SMILES CCNC(=O)C(C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H26N4O5/c1-3-26-23(30)16(2)27-25(32)22(15-17-11-13-19(14-12-17)29(33)34)28-24(31)21-10-6-8-18-7-4-5-9-20(18)21/h4-14,16,22H,3,15H2,1-2H3,(H,26,30)(H,27,32)(H,28,31)/t16?,22-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100068
PNG
(CHEMBL33708 | Naphthalene-1-carboxylic acid {(S)-2...)
Show SMILES COc1ccc(NC(=O)[C@H](C)NC(=O)[C@H](CC2CCCCC2)NC(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H35N3O4/c1-20(28(34)32-23-15-17-24(37-2)18-16-23)31-30(36)27(19-21-9-4-3-5-10-21)33-29(35)26-14-8-12-22-11-6-7-13-25(22)26/h6-8,11-18,20-21,27H,3-5,9-10,19H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)/t20-,27-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100070
PNG
(CHEMBL33144 | Naphthalene-1-carboxylic acid {(S)-1...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1cscn1)NC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN4O3S/c1-16(24(32)30-19-11-9-18(27)10-12-19)29-26(34)23(13-20-14-35-15-28-20)31-25(33)22-8-4-6-17-5-2-3-7-21(17)22/h2-12,14-16,23H,13H2,1H3,(H,29,34)(H,30,32)(H,31,33)/t16-,23-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100059
PNG
(CHEMBL34839 | Naphthalene-1-carboxylic acid [(S)-1...)
Show SMILES CC(NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12)C(=O)N1CCCC1
Show InChI InChI=1S/C27H28N4O5/c1-18(27(34)30-15-4-5-16-30)28-26(33)24(17-19-11-13-21(14-12-19)31(35)36)29-25(32)23-10-6-8-20-7-2-3-9-22(20)23/h2-3,6-14,18,24H,4-5,15-17H2,1H3,(H,28,33)(H,29,32)/t18?,24-/m0/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100075
PNG
(CHEMBL32320 | Naphthalene-1-carboxylic acid {(S)-1...)
Show SMILES COc1ccc(NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccncc2)NC(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C29H28N4O4/c1-19(27(34)32-22-10-12-23(37-2)13-11-22)31-29(36)26(18-20-14-16-30-17-15-20)33-28(35)25-9-5-7-21-6-3-4-8-24(21)25/h3-17,19,26H,18H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)/t19-,26-/m0/s1
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n/an/a>1.22E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100051
PNG
(2-[(S)-1-[(Naphthalene-1-carbonyl)-amino]-2-(4-nit...)
Show SMILES [O-][N+](=O)c1ccc(C[C@H](NC(=O)c2cccc3ccccc23)c2nc(cs2)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C29H22N4O4S/c34-27(24-12-6-8-20-7-4-5-11-23(20)24)31-25(17-19-13-15-22(16-14-19)33(36)37)29-32-26(18-38-29)28(35)30-21-9-2-1-3-10-21/h1-16,18,25H,17H2,(H,30,35)(H,31,34)/t25-/m0/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100069
PNG
(CHEMBL287320 | Naphthalene-1-carboxylic acid [(S)-...)
Show SMILES [O-][N+](=O)c1ccc(C[C@H](NC(=O)c2cccc3ccccc23)c2nc(cs2)C(=O)N2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C32H26N4O4S/c37-30(27-11-5-9-23-7-3-4-10-26(23)27)33-28(18-21-12-14-25(15-13-21)36(39)40)31-34-29(20-41-31)32(38)35-17-16-22-6-1-2-8-24(22)19-35/h1-15,20,28H,16-19H2,(H,33,37)/t28-/m0/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100056
PNG
(CHEMBL287538 | Naphthalene-1-carboxylic acid [(S)-...)
Show SMILES CCn1ccnc1[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H22N4O3/c1-2-27-15-14-25-23(27)22(16-17-10-12-19(13-11-17)28(30)31)26-24(29)21-9-5-7-18-6-3-4-8-20(18)21/h3-15,22H,2,16H2,1H3,(H,26,29)/t22-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100064
PNG
(2-[(S)-1-[(Naphthalene-1-carbonyl)-amino]-2-(4-nit...)
Show SMILES CCNC(=O)c1csc(n1)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H22N4O4S/c1-2-26-24(31)22-15-34-25(28-22)21(14-16-10-12-18(13-11-16)29(32)33)27-23(30)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15,21H,2,14H2,1H3,(H,26,31)(H,27,30)/t21-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100046
PNG
(CHEMBL288554 | Naphthalene-1-carboxylic acid [(S)-...)
Show SMILES [O-][N+](=O)c1ccc(C[C@H](NC(=O)c2cccc3ccccc23)c2cnco2)cc1
Show InChI InChI=1S/C22H17N3O4/c26-22(19-7-3-5-16-4-1-2-6-18(16)19)24-20(21-13-23-14-29-21)12-15-8-10-17(11-9-15)25(27)28/h1-11,13-14,20H,12H2,(H,24,26)/t20-/m0/s1
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n/an/a 2.25E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100079
PNG
(CHEMBL285444 | Naphthalene-1-carboxylic acid [(S)-...)
Show SMILES [O-][N+](=O)c1ccc(C[C@H](NC(=O)c2cccc3ccccc23)c2nccs2)cc1
Show InChI InChI=1S/C22H17N3O3S/c26-21(19-7-3-5-16-4-1-2-6-18(16)19)24-20(22-23-12-13-29-22)14-15-8-10-17(11-9-15)25(27)28/h1-13,20H,14H2,(H,24,26)/t20-/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100056
PNG
(CHEMBL287538 | Naphthalene-1-carboxylic acid [(S)-...)
Show SMILES CCn1ccnc1[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H22N4O3/c1-2-27-15-14-25-23(27)22(16-17-10-12-19(13-11-17)28(30)31)26-24(29)21-9-5-7-18-6-3-4-8-20(18)21/h3-15,22H,2,16H2,1H3,(H,26,29)/t22-/m0/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100061
PNG
(CHEMBL33476 | Naphthalene-1-carboxylic acid [(S)-2...)
Show SMILES [O-][N+](=O)c1ccc(C[C@H](NC(=O)c2cccc3ccccc23)c2ncco2)cc1
Show InChI InChI=1S/C22H17N3O4/c26-21(19-7-3-5-16-4-1-2-6-18(16)19)24-20(22-23-12-13-29-22)14-15-8-10-17(11-9-15)25(27)28/h1-13,20H,14H2,(H,24,26)/t20-/m0/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50100071
PNG
(CHEMBL33131 | Naphthalene-1-carboxylic acid [(S)-2...)
Show SMILES [O-][N+](=O)c1ccc(C[C@H](NC(=O)c2cccc3ccccc23)c2nnco2)cc1
Show InChI InChI=1S/C21H16N4O4/c26-20(18-7-3-5-15-4-1-2-6-17(15)18)23-19(21-24-22-13-29-21)12-14-8-10-16(11-9-14)25(27)28/h1-11,13,19H,12H2,(H,23,26)/t19-/m0/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3

Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%