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Compile Data Set for Download or QSAR

Found 183 hits with Last Name = 'kohno' and Initial = 'h'   
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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223276
PNG
(CHEMBL65426)
Show SMILES ONC(=O)CN1CCC(CC1)(C#N)c1ccc(OC(F)F)c(OC2CCCC2)c1
Show InChI InChI=1S/C20H25F2N3O4/c21-19(22)29-16-6-5-14(11-17(16)28-15-3-1-2-4-15)20(13-23)7-9-25(10-8-20)12-18(26)24-27/h5-6,11,15,19,27H,1-4,7-10,12H2,(H,24,26)
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n/an/a 0.0510n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells


Bioorg Med Chem Lett 14: 207-10 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.087
BindingDB Entry DOI: 10.7270/Q21G0PFV
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223272
PNG
(CHEMBL67668)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCN(CC(=O)NO)CC1)C#N
Show InChI InChI=1S/C20H27N3O4/c1-26-17-7-6-15(12-18(17)27-16-4-2-3-5-16)20(14-21)8-10-23(11-9-20)13-19(24)22-25/h6-7,12,16,25H,2-5,8-11,13H2,1H3,(H,22,24)
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Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells


Bioorg Med Chem Lett 14: 207-10 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.087
BindingDB Entry DOI: 10.7270/Q21G0PFV
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223263
PNG
(CHEMBL291889)
Show SMILES COc1ccc(cc1OC1CCC1)C1(CCN(CC(=O)NO)CC1)C#N
Show InChI InChI=1S/C19H25N3O4/c1-25-16-6-5-14(11-17(16)26-15-3-2-4-15)19(13-20)7-9-22(10-8-19)12-18(23)21-24/h5-6,11,15,24H,2-4,7-10,12H2,1H3,(H,21,23)
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n/an/a 0.180n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells


Bioorg Med Chem Lett 14: 207-10 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.087
BindingDB Entry DOI: 10.7270/Q21G0PFV
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223346
PNG
(CHEMBL65114)
Show SMILES COc1ccc(cc1OCC1CC1)C1(CCN(CC(=O)NO)CC1)C#N
Show InChI InChI=1S/C19H25N3O4/c1-25-16-5-4-15(10-17(16)26-12-14-2-3-14)19(13-20)6-8-22(9-7-19)11-18(23)21-24/h4-5,10,14,24H,2-3,6-9,11-12H2,1H3,(H,21,23)
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n/an/a 0.290n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells


Bioorg Med Chem Lett 14: 207-10 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.087
BindingDB Entry DOI: 10.7270/Q21G0PFV
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223224
PNG
(CHEMBL65115)
Show SMILES CCOc1cc(ccc1OC)C1(CCN(CC(=O)NO)CC1)C#N
Show InChI InChI=1S/C17H23N3O4/c1-3-24-15-10-13(4-5-14(15)23-2)17(12-18)6-8-20(9-7-17)11-16(21)19-22/h4-5,10,22H,3,6-9,11H2,1-2H3,(H,19,21)
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Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells


Bioorg Med Chem Lett 14: 207-10 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.087
BindingDB Entry DOI: 10.7270/Q21G0PFV
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223341
PNG
(CHEMBL294494)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCN(CC1)[C@H](C)C(=O)NO)C#N
Show InChI InChI=1S/C21H29N3O4/c1-15(20(25)23-26)24-11-9-21(14-22,10-12-24)16-7-8-18(27-2)19(13-16)28-17-5-3-4-6-17/h7-8,13,15,17,26H,3-6,9-12H2,1-2H3,(H,23,25)/t15-/m1/s1
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n/an/a 0.910n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells


Bioorg Med Chem Lett 14: 207-10 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.087
BindingDB Entry DOI: 10.7270/Q21G0PFV
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223220
PNG
(CHEMBL63461)
Show SMILES COc1ccc(cc1OC(C)C)C1(CCN(CC(=O)NO)CC1)C#N
Show InChI InChI=1S/C18H25N3O4/c1-13(2)25-16-10-14(4-5-15(16)24-3)18(12-19)6-8-21(9-7-18)11-17(22)20-23/h4-5,10,13,23H,6-9,11H2,1-3H3,(H,20,22)
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Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells


Bioorg Med Chem Lett 14: 207-10 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.087
BindingDB Entry DOI: 10.7270/Q21G0PFV
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362277
PNG
(CHEMBL1939601)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3c(C)cc(OC)cc3C)n(C)c(=O)c12
Show InChI InChI=1S/C22H29N3O2/c1-8-16(9-2)18-12-15(5)25-20(18)22(26)24(6)21(23-25)19-13(3)10-17(27-7)11-14(19)4/h10-12,16H,8-9H2,1-7H3
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n/an/a 2n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362259
PNG
(CHEMBL1939570)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C)c(=O)c12
Show InChI InChI=1S/C21H27N3O2/c1-7-15(8-2)18-12-14(4)24-19(18)21(25)23(5)20(22-24)17-10-9-16(26-6)11-13(17)3/h9-12,15H,7-8H2,1-6H3
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n/an/a 2.60n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362291
PNG
(CHEMBL1939590)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(CC3CC3)c(=O)c12
Show InChI InChI=1S/C24H31N3O2/c1-6-18(7-2)21-13-16(4)27-22(21)24(28)26(14-17-8-9-17)23(25-27)20-11-10-19(29-5)12-15(20)3/h10-13,17-18H,6-9,14H2,1-5H3
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n/an/a 3.30n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50195700
PNG
(CHEMBL3975893)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2ccc(Cl)cc2C(O)=O)cc1
Show InChI InChI=1S/C33H32ClNO6/c1-22-30(39-2)18-25(19-31(22)40-3)32(36)35(17-7-10-23-8-5-4-6-9-23)21-24-11-14-27(15-12-24)41-29-16-13-26(34)20-28(29)33(37)38/h4-6,8-9,11-16,18-20H,7,10,17,21H2,1-3H3,(H,37,38)
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n/an/a 3.5n/an/an/an/an/an/a



ONO Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as reduction in LPA-induced intracellular Ca2+ concentration pretreated wi...


ACS Med Chem Lett 7: 913-918 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00225
BindingDB Entry DOI: 10.7270/Q2X350FR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362269
PNG
(CHEMBL1939593)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)nc3C)n(C)c(=O)c12
Show InChI InChI=1S/C20H26N4O2/c1-7-14(8-2)16-11-12(3)24-18(16)20(25)23(5)19(22-24)15-9-10-17(26-6)21-13(15)4/h9-11,14H,7-8H2,1-6H3
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n/an/a 3.80n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362260
PNG
(CHEMBL1939571)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(C)c(=O)c12
Show InChI InChI=1S/C20H24ClN3O2/c1-6-13(7-2)16-10-12(3)24-18(16)20(25)23(4)19(22-24)15-9-8-14(26-5)11-17(15)21/h8-11,13H,6-7H2,1-5H3
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n/an/a 3.80n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362279
PNG
(CHEMBL1939603)
Show SMILES CCC(C)c1cc(C)n2nc(-c3c(C)cc(OC)cc3C)n(C)c(=O)c12
Show InChI InChI=1S/C21H27N3O2/c1-8-12(2)17-11-15(5)24-19(17)21(25)23(6)20(22-24)18-13(3)9-16(26-7)10-14(18)4/h9-12H,8H2,1-7H3
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n/an/a 4.20n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362286
PNG
(CHEMBL1939585)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(CCO)c(=O)c12
Show InChI InChI=1S/C21H26ClN3O3/c1-5-14(6-2)17-11-13(3)25-19(17)21(27)24(9-10-26)20(23-25)16-8-7-15(28-4)12-18(16)22/h7-8,11-12,14,26H,5-6,9-10H2,1-4H3
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n/an/a 4.40n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362270
PNG
(CHEMBL1939594)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC(F)F)nc3C)n(C)c(=O)c12
Show InChI InChI=1S/C20H24F2N4O2/c1-6-13(7-2)15-10-11(3)26-17(15)19(27)25(5)18(24-26)14-8-9-16(23-12(14)4)28-20(21)22/h8-10,13,20H,6-7H2,1-5H3
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Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362284
PNG
(CHEMBL1939583)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(CC)c(=O)c12
Show InChI InChI=1S/C21H26ClN3O2/c1-6-14(7-2)17-11-13(4)25-19(17)21(26)24(8-3)20(23-25)16-10-9-15(27-5)12-18(16)22/h9-12,14H,6-8H2,1-5H3
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Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223275
PNG
(CHEMBL64989)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCN(CC1)C1(CC1)C(=O)NO)C#N
Show InChI InChI=1S/C22H29N3O4/c1-28-18-7-6-16(14-19(18)29-17-4-2-3-5-17)21(15-23)10-12-25(13-11-21)22(8-9-22)20(26)24-27/h6-7,14,17,27H,2-5,8-13H2,1H3,(H,24,26)
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Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells


Bioorg Med Chem Lett 14: 207-10 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.087
BindingDB Entry DOI: 10.7270/Q21G0PFV
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223348
PNG
(CHEMBL66357)
Show SMILES COc1ccc(cc1OC)C1(CCN(CC(=O)NO)CC1)C#N
Show InChI InChI=1S/C16H21N3O4/c1-22-13-4-3-12(9-14(13)23-2)16(11-17)5-7-19(8-6-16)10-15(20)18-21/h3-4,9,21H,5-8,10H2,1-2H3,(H,18,20)
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Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells


Bioorg Med Chem Lett 14: 207-10 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.087
BindingDB Entry DOI: 10.7270/Q21G0PFV
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362273
PNG
(CHEMBL1939597)
Show SMILES CCC(C)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(C)c(=O)c12
Show InChI InChI=1S/C19H22ClN3O2/c1-6-11(2)15-9-12(3)23-17(15)19(24)22(4)18(21-23)14-8-7-13(25-5)10-16(14)20/h7-11H,6H2,1-5H3
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Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362271
PNG
(CHEMBL1939595)
Show SMILES CCC(C)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C)c(=O)c12
Show InChI InChI=1S/C20H25N3O2/c1-7-12(2)17-11-14(4)23-18(17)20(24)22(5)19(21-23)16-9-8-15(25-6)10-13(16)3/h8-12H,7H2,1-6H3
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n/an/a 5n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362280
PNG
(CHEMBL1939592)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3cnc(OC(F)F)cc3C)n(C)c(=O)c12
Show InChI InChI=1S/C20H24F2N4O2/c1-6-13(7-2)14-9-12(4)26-17(14)19(27)25(5)18(24-26)15-10-23-16(8-11(15)3)28-20(21)22/h8-10,13,20H,6-7H2,1-5H3
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n/an/a 5.30n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362288
PNG
(CHEMBL1939587)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C3CC3)c(=O)c12
Show InChI InChI=1S/C23H29N3O2/c1-6-16(7-2)20-13-15(4)26-21(20)23(27)25(17-8-9-17)22(24-26)19-11-10-18(28-5)12-14(19)3/h10-13,16-17H,6-9H2,1-5H3
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n/an/a 5.70n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50195694
PNG
(CHEMBL3976876)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2cc(Cl)ccc2C(O)=O)cc1
Show InChI InChI=1S/C33H32ClNO6/c1-22-29(39-2)18-25(19-30(22)40-3)32(36)35(17-7-10-23-8-5-4-6-9-23)21-24-11-14-27(15-12-24)41-31-20-26(34)13-16-28(31)33(37)38/h4-6,8-9,11-16,18-20H,7,10,17,21H2,1-3H3,(H,37,38)
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n/an/a 5.90n/an/an/an/an/an/a



ONO Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as reduction in LPA-induced intracellular Ca2+ concentration pretreated wi...


ACS Med Chem Lett 7: 913-918 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00225
BindingDB Entry DOI: 10.7270/Q2X350FR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362289
PNG
(CHEMBL1939588)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(C3CC3)c(=O)c12
Show InChI InChI=1S/C22H26ClN3O2/c1-5-14(6-2)18-11-13(3)26-20(18)22(27)25(15-7-8-15)21(24-26)17-10-9-16(28-4)12-19(17)23/h9-12,14-15H,5-8H2,1-4H3
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n/an/a 5.90n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223344
PNG
(CHEMBL63568)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCN(CC1)[C@@H](C)C(=O)NO)C#N
Show InChI InChI=1S/C21H29N3O4/c1-15(20(25)23-26)24-11-9-21(14-22,10-12-24)16-7-8-18(27-2)19(13-16)28-17-5-3-4-6-17/h7-8,13,15,17,26H,3-6,9-12H2,1-2H3,(H,23,25)/t15-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells


Bioorg Med Chem Lett 14: 207-10 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.087
BindingDB Entry DOI: 10.7270/Q21G0PFV
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223271
PNG
(CHEMBL63028)
Show SMILES CCOc1ccc(cc1OC1CCCC1)C1(CCN(CC(=O)NO)CC1)C#N
Show InChI InChI=1S/C21H29N3O4/c1-2-27-18-8-7-16(13-19(18)28-17-5-3-4-6-17)21(15-22)9-11-24(12-10-21)14-20(25)23-26/h7-8,13,17,26H,2-6,9-12,14H2,1H3,(H,23,25)
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n/an/a 6.20n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells


Bioorg Med Chem Lett 14: 207-10 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.087
BindingDB Entry DOI: 10.7270/Q21G0PFV
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362266
PNG
(CHEMBL1939577)
Show SMILES CCC(CC)c1cc(C)n2nc(c(C)cc12)-c1cnc(cc1C)N(C)C
Show InChI InChI=1S/C22H30N4/c1-8-17(9-2)18-12-16(5)26-20(18)10-15(4)22(24-26)19-13-23-21(25(6)7)11-14(19)3/h10-13,17H,8-9H2,1-7H3
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n/an/a 7.40n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362274
PNG
(CHEMBL1939598)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(nc3C)N(C)C)n(C)c(=O)c12
Show InChI InChI=1S/C21H29N5O/c1-8-15(9-2)17-12-13(3)26-19(17)21(27)25(7)20(23-26)16-10-11-18(24(5)6)22-14(16)4/h10-12,15H,8-9H2,1-7H3
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n/an/a 7.80n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362285
PNG
(CHEMBL1939584)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(CCO)c(=O)c12
Show InChI InChI=1S/C22H29N3O3/c1-6-16(7-2)19-13-15(4)25-20(19)22(27)24(10-11-26)21(23-25)18-9-8-17(28-5)12-14(18)3/h8-9,12-13,16,26H,6-7,10-11H2,1-5H3
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n/an/a 7.80n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50362280
PNG
(CHEMBL1939592)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3cnc(OC(F)F)cc3C)n(C)c(=O)c12
Show InChI InChI=1S/C20H24F2N4O2/c1-6-13(7-2)14-9-12(4)26-17(14)19(27)25(5)18(24-26)15-10-23-16(8-11(15)3)28-20(21)22/h8-10,13,20H,6-7H2,1-5H3
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n/an/a 8.40n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from rat CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362292
PNG
(CHEMBL1939591)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3cnc(OC)cc3C)n(C)c(=O)c12
Show InChI InChI=1S/C20H26N4O2/c1-7-14(8-2)15-10-13(4)24-18(15)20(25)23(5)19(22-24)16-11-21-17(26-6)9-12(16)3/h9-11,14H,7-8H2,1-6H3
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n/an/a 8.60n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362272
PNG
(CHEMBL1939596)
Show SMILES COc1ccc(c(Cl)c1)-c1nn2c(C)cc(C(C)C)c2c(=O)n1C
Show InChI InChI=1S/C18H20ClN3O2/c1-10(2)14-8-11(3)22-16(14)18(23)21(4)17(20-22)13-7-6-12(24-5)9-15(13)19/h6-10H,1-5H3
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n/an/a 8.70n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362265
PNG
(CHEMBL1939576)
Show SMILES CCC(CC)c1cc(C)n2nc(c(C)cc12)-c1cc(OC)c(OC)cc1CC
Show InChI InChI=1S/C24H32N2O2/c1-8-17(9-2)19-12-16(5)26-21(19)11-15(4)24(25-26)20-14-23(28-7)22(27-6)13-18(20)10-3/h11-14,17H,8-10H2,1-7H3
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n/an/a 8.90n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362283
PNG
(CHEMBL1939582)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(CC)c(=O)c12
Show InChI InChI=1S/C22H29N3O2/c1-7-16(8-2)19-13-15(5)25-20(19)22(26)24(9-3)21(23-25)18-11-10-17(27-6)12-14(18)4/h10-13,16H,7-9H2,1-6H3
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n/an/a 9.70n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362261
PNG
(CHEMBL1939572)
Show SMILES CCC(CC)c1cc(C)n2nc(c(C)cc12)-c1ccc(C)cc1C
Show InChI InChI=1S/C22H28N2/c1-7-18(8-2)20-13-17(6)24-21(20)12-16(5)22(23-24)19-10-9-14(3)11-15(19)4/h9-13,18H,7-8H2,1-6H3
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n/an/a 11.6n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362278
PNG
(CHEMBL1939602)
Show SMILES COc1cc(C)c(c(C)c1)-c1nn2c(C)cc(C(C)C)c2c(=O)n1C
Show InChI InChI=1S/C20H25N3O2/c1-11(2)16-10-14(5)23-18(16)20(24)22(6)19(21-23)17-12(3)8-15(25-7)9-13(17)4/h8-11H,1-7H3
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n/an/a 13.1n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362263
PNG
(CHEMBL1939574)
Show SMILES CCOc1ccc(c(CC)c1)-c1nn2c(C)cc(C(CC)CC)c2cc1C
Show InChI InChI=1S/C24H32N2O/c1-7-18(8-2)22-14-17(6)26-23(22)13-16(5)24(25-26)21-12-11-20(27-10-4)15-19(21)9-3/h11-15,18H,7-10H2,1-6H3
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n/an/a 13.4n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362282
PNG
(CHEMBL1939581)
Show SMILES CCC(CC)c1cc(C)n2nc([nH]c(=O)c12)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C19H22ClN3O2/c1-5-12(6-2)15-9-11(3)23-17(15)19(24)21-18(22-23)14-8-7-13(25-4)10-16(14)20/h7-10,12H,5-6H2,1-4H3,(H,21,22,24)
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n/an/a 14.3n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50195690
PNG
(CHEMBL3917128)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2cc(C)ccc2C(O)=O)cc1
Show InChI InChI=1S/C34H35NO6/c1-23-12-17-29(34(37)38)32(19-23)41-28-15-13-26(14-16-28)22-35(18-8-11-25-9-6-5-7-10-25)33(36)27-20-30(39-3)24(2)31(21-27)40-4/h5-7,9-10,12-17,19-21H,8,11,18,22H2,1-4H3,(H,37,38)
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n/an/a 15n/an/an/an/an/an/a



ONO Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as reduction in LPA-induced intracellular Ca2+ concentration pretreated wi...


ACS Med Chem Lett 7: 913-918 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00225
BindingDB Entry DOI: 10.7270/Q2X350FR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362258
PNG
(CHEMBL1939569)
Show SMILES CCC(CC)c1cc(C)n2nc(c(C)cc12)-c1ccc(OC)cc1C
Show InChI InChI=1S/C22H28N2O/c1-7-17(8-2)20-13-16(5)24-21(20)12-15(4)22(23-24)19-10-9-18(25-6)11-14(19)3/h9-13,17H,7-8H2,1-6H3
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n/an/a 16.4n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362262
PNG
(CHEMBL1939573)
Show SMILES CCC(CC)c1cc(C)n2nc(c(C)cc12)-c1cc(C)c(C)cc1C
Show InChI InChI=1S/C23H30N2/c1-8-19(9-2)21-13-18(7)25-22(21)12-17(6)23(24-25)20-11-15(4)14(3)10-16(20)5/h10-13,19H,8-9H2,1-7H3
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n/an/a 16.6n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362264
PNG
(CHEMBL1939575)
Show SMILES CCC(CC)c1cc(C)n2nc(c(C)cc12)-c1cc2OCOc2cc1C
Show InChI InChI=1S/C22H26N2O2/c1-6-16(7-2)18-10-15(5)24-19(18)8-14(4)22(23-24)17-11-21-20(9-13(17)3)25-12-26-21/h8-11,16H,6-7,12H2,1-5H3
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n/an/a 18.3n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50362287
PNG
(CHEMBL1939586)
Show SMILES CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C(C)C)c(=O)c12
Show InChI InChI=1S/C23H31N3O2/c1-8-17(9-2)20-13-16(6)26-21(20)23(27)25(14(3)4)22(24-26)19-11-10-18(28-7)12-15(19)5/h10-14,17H,8-9H2,1-7H3
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n/an/a 19.2n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter


Bioorg Med Chem 20: 1122-38 (2012)


Article DOI: 10.1016/j.bmc.2011.11.015
BindingDB Entry DOI: 10.7270/Q2B27VQT
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223221
PNG
(CHEMBL294073)
Show SMILES CC(C)Oc1ccc(cc1OC1CCCC1)C1(CCN(CC(=O)NO)CC1)C#N
Show InChI InChI=1S/C22H31N3O4/c1-16(2)28-19-8-7-17(13-20(19)29-18-5-3-4-6-18)22(15-23)9-11-25(12-10-22)14-21(26)24-27/h7-8,13,16,18,27H,3-6,9-12,14H2,1-2H3,(H,24,26)
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n/an/a>30n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells


Bioorg Med Chem Lett 14: 207-10 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.087
BindingDB Entry DOI: 10.7270/Q21G0PFV
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223217
PNG
(CHEMBL65519)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCN(CC1)C(C)(C)C(=O)NO)C#N
Show InChI InChI=1S/C22H31N3O4/c1-21(2,20(26)24-27)25-12-10-22(15-23,11-13-25)16-8-9-18(28-3)19(14-16)29-17-6-4-5-7-17/h8-9,14,17,27H,4-7,10-13H2,1-3H3,(H,24,26)
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n/an/a 34n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells


Bioorg Med Chem Lett 14: 207-10 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.087
BindingDB Entry DOI: 10.7270/Q21G0PFV
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50195693
PNG
(CHEMBL3947597)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2ccc(C)cc2C(O)=O)cc1
Show InChI InChI=1S/C34H35NO6/c1-23-12-17-30(29(19-23)34(37)38)41-28-15-13-26(14-16-28)22-35(18-8-11-25-9-6-5-7-10-25)33(36)27-20-31(39-3)24(2)32(21-27)40-4/h5-7,9-10,12-17,19-21H,8,11,18,22H2,1-4H3,(H,37,38)
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n/an/a 42n/an/an/an/an/an/a



ONO Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as reduction in LPA-induced intracellular Ca2+ concentration pretreated wi...


ACS Med Chem Lett 7: 913-918 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00225
BindingDB Entry DOI: 10.7270/Q2X350FR
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223342
PNG
(CHEMBL63353)
Show SMILES OC(=O)CN1CCC(CC1)(C#N)c1ccc(OC(F)F)c(OC2CCCC2)c1
Show InChI InChI=1S/C20H24F2N2O4/c21-19(22)28-16-6-5-14(11-17(16)27-15-3-1-2-4-15)20(13-23)7-9-24(10-8-20)12-18(25)26/h5-6,11,15,19H,1-4,7-10,12H2,(H,25,26)
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n/an/a 65n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells


Bioorg Med Chem Lett 14: 207-10 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.087
BindingDB Entry DOI: 10.7270/Q21G0PFV
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223268
PNG
(CHEMBL306888)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCN(CC(O)=O)CC1)C#N
Show InChI InChI=1S/C20H26N2O4/c1-25-17-7-6-15(12-18(17)26-16-4-2-3-5-16)20(14-21)8-10-22(11-9-20)13-19(23)24/h6-7,12,16H,2-5,8-11,13H2,1H3,(H,23,24)
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n/an/a 66n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells


Bioorg Med Chem Lett 14: 207-10 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.087
BindingDB Entry DOI: 10.7270/Q21G0PFV
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223343
PNG
(CHEMBL63847)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)C1(CCN(CC(O)=O)CC1)C#N
Show InChI InChI=1S/C24H26N2O4/c1-29-21-7-6-19(24(16-25)8-10-26(11-9-24)15-23(27)28)14-22(21)30-20-12-17-4-2-3-5-18(17)13-20/h2-7,14,20H,8-13,15H2,1H3,(H,27,28)
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n/an/a 67n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells


Bioorg Med Chem Lett 14: 207-10 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.087
BindingDB Entry DOI: 10.7270/Q21G0PFV
More data for this
Ligand-Target Pair
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