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PubMed code 17531480

Compile data set for download or QSAR
Found 51 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
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213911
PNG
(2-(2-cyclohexyl-4-(trifluoromethyl)phenoxy)acetic ...)
Show SMILES OC(=O)COc1ccc(cc1C1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C15H17F3O3/c16-15(17,18)11-6-7-13(21-9-14(19)20)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,20)
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 20n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213919
PNG
(2-(4-chloro-2-cycloheptylphenoxy)acetic acid | CHE...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCCC1
Show InChI InChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18)
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 59n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213912
PNG
((S)-2-(4-chloro-2-cyclohexylphenoxy)propanoic acid...)
Show SMILES C[C@H](Oc1ccc(Cl)cc1C1CCCCC1)C(O)=O
Show InChI InChI=1S/C15H19ClO3/c1-10(15(17)18)19-14-8-7-12(16)9-13(14)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,17,18)/t10-/m0/s1
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 75n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213922
PNG
(2-(4-bromo-2-cyclohexylphenoxy)acetic acid | CHEMB...)
Show SMILES OC(=O)COc1ccc(Br)cc1C1CCCCC1
Show InChI InChI=1S/C14H17BrO3/c15-11-6-7-13(18-9-14(16)17)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)
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 83n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213908
PNG
(2-(4-chloro-2-(1-methylcyclohexyl)phenoxy)acetic a...)
Show SMILES CC1(CCCCC1)c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C15H19ClO3/c1-15(7-3-2-4-8-15)12-9-11(16)5-6-13(12)19-10-14(17)18/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,18)
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 90n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213907
PNG
((3-cyclohexyl-4'-fluoro-biphenyl-4-yloxy)-acetic a...)
Show SMILES OC(=O)COc1ccc(cc1C1CCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FO3/c21-17-9-6-14(7-10-17)16-8-11-19(24-13-20(22)23)18(12-16)15-4-2-1-3-5-15/h6-12,15H,1-5,13H2,(H,22,23)
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 99n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213917
PNG
(2-(4-chloro-2-cyclopentylphenoxy)acetic acid | CHE...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCC1
Show InChI InChI=1S/C13H15ClO3/c14-10-5-6-12(17-8-13(15)16)11(7-10)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,15,16)
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 150n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213909
PNG
(2-(4-chloro-2-cyclohexylphenoxy)acetic acid | CHEM...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCC1
Show InChI InChI=1S/C14H17ClO3/c15-11-6-7-13(18-9-14(16)17)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)
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 154n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213915
PNG
(2-(4-cyano-2-cyclohexylphenoxy)acetic acid | CHEMB...)
Show SMILES OC(=O)COc1ccc(cc1C1CCCCC1)C#N
Show InChI InChI=1S/C15H17NO3/c16-9-11-6-7-14(19-10-15(17)18)13(8-11)12-4-2-1-3-5-12/h6-8,12H,1-5,10H2,(H,17,18)
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 230n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213918
PNG
(2-(2-cyclohexylphenoxy)acetic acid | CHEMBL247739)
Show SMILES OC(=O)COc1ccccc1C1CCCCC1
Show InChI InChI=1S/C14H18O3/c15-14(16)10-17-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,15,16)
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 311n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213926
PNG
(2-(2-cyclohexyl-4-methylphenoxy)acetic acid | CHEM...)
Show SMILES Cc1ccc(OCC(O)=O)c(c1)C1CCCCC1
Show InChI InChI=1S/C15H20O3/c1-11-7-8-14(18-10-15(16)17)13(9-11)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,16,17)
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 353n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213913
PNG
(2-(2-cyclohexyl-4-fluorophenoxy)acetic acid | CHEM...)
Show SMILES OC(=O)COc1ccc(F)cc1C1CCCCC1
Show InChI InChI=1S/C14H17FO3/c15-11-6-7-13(18-9-14(16)17)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)
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 446n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213921
PNG
(2-(2-cyclohexyl-4-methoxyphenoxy)acetic acid | CHE...)
Show SMILES COc1ccc(OCC(O)=O)c(c1)C1CCCCC1
Show InChI InChI=1S/C15H20O4/c1-18-12-7-8-14(19-10-15(16)17)13(9-12)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,16,17)
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 782n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213910
PNG
(3-(4-chloro-2-cyclohexylphenoxy)propanoic acid | C...)
Show SMILES OC(=O)CCOc1ccc(Cl)cc1C1CCCCC1
Show InChI InChI=1S/C15H19ClO3/c16-12-6-7-14(19-9-8-15(17)18)13(10-12)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,18)
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 799n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213908
PNG
(2-(4-chloro-2-(1-methylcyclohexyl)phenoxy)acetic a...)
Show SMILES CC1(CCCCC1)c1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C15H19ClO3/c1-15(7-3-2-4-8-15)12-9-11(16)5-6-13(12)19-10-14(17)18/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,18)
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 1.21E+3n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213919
PNG
(2-(4-chloro-2-cycloheptylphenoxy)acetic acid | CHE...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCCC1
Show InChI InChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18)
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 1.88E+3n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213928
PNG
(4-(4-chloro-2-cyclohexylphenoxy)butanoic acid | CH...)
Show SMILES OC(=O)CCCOc1ccc(Cl)cc1C1CCCCC1
Show InChI InChI=1S/C16H21ClO3/c17-13-8-9-15(20-10-4-7-16(18)19)14(11-13)12-5-2-1-3-6-12/h8-9,11-12H,1-7,10H2,(H,18,19)
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 1.99E+3n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213920
PNG
((R)-2-(4-chloro-2-cyclohexylphenoxy)propanoic acid...)
Show SMILES C[C@@H](Oc1ccc(Cl)cc1C1CCCCC1)C(O)=O
Show InChI InChI=1S/C15H19ClO3/c1-10(15(17)18)19-14-8-7-12(16)9-13(14)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,17,18)/t10-/m1/s1
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 2.25E+3n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))		BDBM50213909
PNG
(2-(4-chloro-2-cyclohexylphenoxy)acetic acid | CHEM...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCC1
Show InChI InChI=1S/C14H17ClO3/c15-11-6-7-13(18-9-14(16)17)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)
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 3.00E+3n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid EP2 receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213924
PNG
(CHEMBL247131 | methyl 2-(4-chloro-2-cyclohexylphen...)
Show SMILES COC(=O)COc1ccc(Cl)cc1C1CCCCC1
Show InChI InChI=1S/C15H19ClO3/c1-18-15(17)10-19-14-8-7-12(16)9-13(14)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3
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 3.28E+3n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213912
PNG
((S)-2-(4-chloro-2-cyclohexylphenoxy)propanoic acid...)
Show SMILES C[C@H](Oc1ccc(Cl)cc1C1CCCCC1)C(O)=O
Show InChI InChI=1S/C15H19ClO3/c1-10(15(17)18)19-14-8-7-12(16)9-13(14)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,17,18)/t10-/m0/s1
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 4.49E+3n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213925
PNG
(2-(2-allyl-4-chlorophenoxy)acetic acid | CHEMBL245...)
Show SMILES OC(=O)COc1ccc(Cl)cc1CC=C
Show InChI InChI=1S/C11H11ClO3/c1-2-3-8-6-9(12)4-5-10(8)15-7-11(13)14/h2,4-6H,1,3,7H2,(H,13,14)
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 4.74E+3n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213917
PNG
(2-(4-chloro-2-cyclopentylphenoxy)acetic acid | CHE...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCC1
Show InChI InChI=1S/C13H15ClO3/c14-10-5-6-12(17-8-13(15)16)11(7-10)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,15,16)
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 4.80E+3n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213925
PNG
(2-(2-allyl-4-chlorophenoxy)acetic acid | CHEMBL245...)
Show SMILES OC(=O)COc1ccc(Cl)cc1CC=C
Show InChI InChI=1S/C11H11ClO3/c1-2-3-8-6-9(12)4-5-10(8)15-7-11(13)14/h2,4-6H,1,3,7H2,(H,13,14)
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 5.13E+3n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213922
PNG
(2-(4-bromo-2-cyclohexylphenoxy)acetic acid | CHEMB...)
Show SMILES OC(=O)COc1ccc(Br)cc1C1CCCCC1
Show InChI InChI=1S/C14H17BrO3/c15-11-6-7-13(18-9-14(16)17)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)
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 5.90E+3n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213907
PNG
((3-cyclohexyl-4'-fluoro-biphenyl-4-yloxy)-acetic a...)
Show SMILES OC(=O)COc1ccc(cc1C1CCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FO3/c21-17-9-6-14(7-10-17)16-8-11-19(24-13-20(22)23)18(12-16)15-4-2-1-3-5-15/h6-12,15H,1-5,13H2,(H,22,23)
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 6.40E+3n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213909
PNG
(2-(4-chloro-2-cyclohexylphenoxy)acetic acid | CHEM...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCC1
Show InChI InChI=1S/C14H17ClO3/c15-11-6-7-13(18-9-14(16)17)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)
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 7.60E+3n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213924
PNG
(CHEMBL247131 | methyl 2-(4-chloro-2-cyclohexylphen...)
Show SMILES COC(=O)COc1ccc(Cl)cc1C1CCCCC1
Show InChI InChI=1S/C15H19ClO3/c1-18-15(17)10-19-14-8-7-12(16)9-13(14)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3
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 8.90E+3n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213914
PNG
(5-((4-chloro-2-cyclohexylphenoxy)methyl)-1H-tetraz...)
Show SMILES Clc1ccc(OCc2nnn[nH]2)c(c1)C1CCCCC1
Show InChI InChI=1S/C14H17ClN4O/c15-11-6-7-13(20-9-14-16-18-19-17-14)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17,18,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213911
PNG
(2-(2-cyclohexyl-4-(trifluoromethyl)phenoxy)acetic ...)
Show SMILES OC(=O)COc1ccc(cc1C1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C15H17F3O3/c16-15(17,18)11-6-7-13(21-9-14(19)20)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213920
PNG
((R)-2-(4-chloro-2-cyclohexylphenoxy)propanoic acid...)
Show SMILES C[C@@H](Oc1ccc(Cl)cc1C1CCCCC1)C(O)=O
Show InChI InChI=1S/C15H19ClO3/c1-10(15(17)18)19-14-8-7-12(16)9-13(14)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,17,18)/t10-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213916
PNG
(2-(4-chloro-2-cyclohexylphenoxy)-N-(methylsulfonyl...)
Show SMILES CS(=O)(=O)NC(=O)COc1ccc(Cl)cc1C1CCCCC1
Show InChI InChI=1S/C15H20ClNO4S/c1-22(19,20)17-15(18)10-21-14-8-7-12(16)9-13(14)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213913
PNG
(2-(2-cyclohexyl-4-fluorophenoxy)acetic acid | CHEM...)
Show SMILES OC(=O)COc1ccc(F)cc1C1CCCCC1
Show InChI InChI=1S/C14H17FO3/c15-11-6-7-13(18-9-14(16)17)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213923
PNG
(2-(4-chloro-2-cyclohexylphenoxy)ethanol | CHEMBL39...)
Show SMILES OCCOc1ccc(Cl)cc1C1CCCCC1
Show InChI InChI=1S/C14H19ClO2/c15-12-6-7-14(17-9-8-16)13(10-12)11-4-2-1-3-5-11/h6-7,10-11,16H,1-5,8-9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213915
PNG
(2-(4-cyano-2-cyclohexylphenoxy)acetic acid | CHEMB...)
Show SMILES OC(=O)COc1ccc(cc1C1CCCCC1)C#N
Show InChI InChI=1S/C15H17NO3/c16-9-11-6-7-14(19-10-15(17)18)13(8-11)12-4-2-1-3-5-12/h6-8,12H,1-5,10H2,(H,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213910
PNG
(3-(4-chloro-2-cyclohexylphenoxy)propanoic acid | C...)
Show SMILES OC(=O)CCOc1ccc(Cl)cc1C1CCCCC1
Show InChI InChI=1S/C15H19ClO3/c16-12-6-7-14(19-9-8-15(17)18)13(10-12)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213918
PNG
(2-(2-cyclohexylphenoxy)acetic acid | CHEMBL247739)
Show SMILES OC(=O)COc1ccccc1C1CCCCC1
Show InChI InChI=1S/C14H18O3/c15-14(16)10-17-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,15,16)
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50213909
PNG
(2-(4-chloro-2-cyclohexylphenoxy)acetic acid | CHEM...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCC1
Show InChI InChI=1S/C14H17ClO3/c15-11-6-7-13(18-9-14(16)17)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid TP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213914
PNG
(5-((4-chloro-2-cyclohexylphenoxy)methyl)-1H-tetraz...)
Show SMILES Clc1ccc(OCc2nnn[nH]2)c(c1)C1CCCCC1
Show InChI InChI=1S/C14H17ClN4O/c15-11-6-7-13(20-9-14-16-18-19-17-14)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17,18,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50213927
PNG
(((4-chloro-o-tolyl)oxy)acetic acid, | (4-chloro-2-...)
Show SMILES Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213921
PNG
(2-(2-cyclohexyl-4-methoxyphenoxy)acetic acid | CHE...)
Show SMILES COc1ccc(OCC(O)=O)c(c1)C1CCCCC1
Show InChI InChI=1S/C15H20O4/c1-18-12-7-8-14(19-10-15(16)17)13(9-12)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213927
PNG
(((4-chloro-o-tolyl)oxy)acetic acid, | (4-chloro-2-...)
Show SMILES Cc1cc(Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
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Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213926
PNG
(2-(2-cyclohexyl-4-methylphenoxy)acetic acid | CHEM...)
Show SMILES Cc1ccc(OCC(O)=O)c(c1)C1CCCCC1
Show InChI InChI=1S/C15H20O3/c1-11-7-8-14(18-10-15(16)17)13(9-11)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213928
PNG
(4-(4-chloro-2-cyclohexylphenoxy)butanoic acid | CH...)
Show SMILES OC(=O)CCCOc1ccc(Cl)cc1C1CCCCC1
Show InChI InChI=1S/C16H21ClO3/c17-13-8-9-15(20-10-4-7-16(18)19)14(11-13)12-5-2-1-3-6-12/h8-9,11-12H,1-7,10H2,(H,18,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213923
PNG
(2-(4-chloro-2-cyclohexylphenoxy)ethanol | CHEMBL39...)
Show SMILES OCCOc1ccc(Cl)cc1C1CCCCC1
Show InChI InChI=1S/C14H19ClO2/c15-12-6-7-14(17-9-8-16)13(10-12)11-4-2-1-3-5-11/h6-7,10-11,16H,1-5,8-9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))		BDBM50213916
PNG
(2-(4-chloro-2-cyclohexylphenoxy)-N-(methylsulfonyl...)
Show SMILES CS(=O)(=O)NC(=O)COc1ccc(Cl)cc1C1CCCCC1
Show InChI InChI=1S/C15H20ClNO4S/c1-22(19,20)17-15(18)10-21-14-8-7-12(16)9-13(14)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity at prostanoid DP receptor

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50213919
PNG
(2-(4-chloro-2-cycloheptylphenoxy)acetic acid | CHE...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCCC1
Show InChI InChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50213919
PNG
(2-(4-chloro-2-cycloheptylphenoxy)acetic acid | CHE...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCCC1
Show InChI InChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50213919
PNG
(2-(4-chloro-2-cycloheptylphenoxy)acetic acid | CHE...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCCC1
Show InChI InChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50213919
PNG
(2-(4-chloro-2-cycloheptylphenoxy)acetic acid | CHE...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCCC1
Show InChI InChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50213919
PNG
(2-(4-chloro-2-cycloheptylphenoxy)acetic acid | CHE...)
Show SMILES OC(=O)COc1ccc(Cl)cc1C1CCCCCC1
Show InChI InChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2

Bioorg Med Chem Lett 17: 4347-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%