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Compile Data Set for Download or QSAR

Found 378 hits with Last Name = 'takagi' and Initial = 'm'   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50130021
PNG
(7-(2-Methyl-pyridin-4-ylmethyl)-8-oxo-2-(pyridin-2...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C32H30N4O7/c1-19-14-20(11-13-33-19)17-36-29(32(38)42-5)27(21-15-24(39-2)30(41-4)25(16-21)40-3)23-9-10-26(35-28(23)31(36)37)43-18-22-8-6-7-12-34-22/h6-16H,17-18H2,1-5H3
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n/an/a 0.220n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50100673
PNG
(CHEMBL538498 | methyl 2-(4-aminophenyl)-4-(4-bromo...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(Br)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C31H26BrN3O6/c1-38-25-14-18(15-26(39-2)28(25)32)27-23-12-11-22(41-17-20-6-4-5-13-34-20)16-24(23)30(36)35(29(27)31(37)40-3)21-9-7-19(33)8-10-21/h4-16H,17,33H2,1-3H3
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Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)

J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50130017
PNG
(2-(2-Methyl-pyridin-4-ylmethyl)-1-oxo-8-(pyrimidin...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCc3ncccn3)c2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C31H29N5O7/c1-18-13-19(7-11-32-18)16-36-27(31(38)42-5)25(20-14-22(39-2)28(41-4)23(15-20)40-3)21-8-12-35-29(26(21)30(36)37)43-17-24-33-9-6-10-34-24/h6-15H,16-17H2,1-5H3
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Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50130025
PNG
(7-(2-Methyl-pyridin-4-ylmethyl)-8-oxo-2-(pyrazin-2...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3cnccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C31H29N5O7/c1-18-12-19(8-9-33-18)16-36-28(31(38)42-5)26(20-13-23(39-2)29(41-4)24(14-20)40-3)22-6-7-25(35-27(22)30(36)37)43-17-21-15-32-10-11-34-21/h6-15H,16-17H2,1-5H3
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Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50130020
PNG
(2-(2-Methyl-pyridin-4-ylmethyl)-1-oxo-8-(pyridin-2...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCc3ccccn3)c2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C32H30N4O7/c1-19-14-20(9-12-33-19)17-36-28(32(38)42-5)26(21-15-24(39-2)29(41-4)25(16-21)40-3)23-10-13-35-30(27(23)31(36)37)43-18-22-8-6-7-11-34-22/h6-16H,17-18H2,1-5H3
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Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50130027
PNG
(8-Oxo-2-(pyridin-2-ylmethoxy)-7-pyridin-4-ylmethyl...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1Cc1ccncc1
Show InChI InChI=1S/C31H28N4O7/c1-38-23-15-20(16-24(39-2)29(23)40-3)26-22-8-9-25(42-18-21-7-5-6-12-33-21)34-27(22)30(36)35(28(26)31(37)41-4)17-19-10-13-32-14-11-19/h5-16H,17-18H2,1-4H3
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Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50100674
PNG
(CHEMBL541818 | methyl 2-(4-aminophenyl)-4-(3,5-dim...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(C)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O6/c1-19-27(38-2)15-20(16-28(19)39-3)29-25-13-12-24(41-18-22-7-5-6-14-34-22)17-26(25)31(36)35(30(29)32(37)40-4)23-10-8-21(33)9-11-23/h5-17H,18,33H2,1-4H3
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n/an/a 0.390n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)

J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50130028
PNG
(7-(4-Amino-phenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C31H28N4O7/c1-38-23-15-18(16-24(39-2)29(23)40-3)26-22-12-13-25(42-17-20-7-5-6-14-33-20)34-27(22)30(36)35(28(26)31(37)41-4)21-10-8-19(32)9-11-21/h5-16H,17,32H2,1-4H3
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Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50130024
PNG
(2-(2-Methyl-pyridin-4-ylmethyl)-1-oxo-8-(2-pyridin...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCCc3ccccn3)c2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C33H32N4O7/c1-20-16-21(9-13-34-20)19-37-29(33(39)43-5)27(22-17-25(40-2)30(42-4)26(18-22)41-3)24-10-14-36-31(28(24)32(37)38)44-15-11-23-8-6-7-12-35-23/h6-10,12-14,16-18H,11,15,19H2,1-5H3
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Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50100662
PNG
(CHEMBL553371 | CHEMBL77971 | methyl 2-(4-aminophen...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-19(16-27(39-2)30(26)40-3)28-24-13-12-23(42-18-21-7-5-6-14-34-21)17-25(24)31(36)35(29(28)32(37)41-4)22-10-8-20(33)9-11-22/h5-17H,18,33H2,1-4H3
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Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)

J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50100662
PNG
(CHEMBL553371 | CHEMBL77971 | methyl 2-(4-aminophen...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-19(16-27(39-2)30(26)40-3)28-24-13-12-23(42-18-21-7-5-6-14-34-21)17-25(24)31(36)35(29(28)32(37)41-4)22-10-8-20(33)9-11-22/h5-17H,18,33H2,1-4H3
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Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a 1n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50100659
PNG
(CHEMBL544289 | methyl 2-(4-aminophenyl)-1-oxo-7-(3...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3cccnc3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-14-20(15-27(39-2)30(26)40-3)28-24-12-11-23(42-18-19-6-5-13-34-17-19)16-25(24)31(36)35(29(28)32(37)41-4)22-9-7-21(33)8-10-22/h5-17H,18,33H2,1-4H3
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n/an/a 1.10n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)

J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50100656
PNG
(2-(4-Amino-phenyl)-7-benzyloxy-1-oxo-4-(3,4,5-trim...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccc3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C33H30N2O7/c1-38-27-16-21(17-28(39-2)31(27)40-3)29-25-15-14-24(42-19-20-8-6-5-7-9-20)18-26(25)32(36)35(30(29)33(37)41-4)23-12-10-22(34)11-13-23/h5-18H,19,34H2,1-4H3
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Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)

J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50130029
PNG
(7-(2-Methyl-pyridin-4-ylmethyl)-8-oxo-2-(2-pyridin...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCCc3ccccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C33H32N4O7/c1-20-16-21(11-14-34-20)19-37-30(33(39)43-5)28(22-17-25(40-2)31(42-4)26(18-22)41-3)24-9-10-27(36-29(24)32(37)38)44-15-12-23-8-6-7-13-35-23/h6-11,13-14,16-18H,12,15,19H2,1-5H3
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Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50366818
PNG
(CHEMBL1202833)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(NCc3ccccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C32H31N5O6/c1-19-14-20(11-13-33-19)18-37-29(32(39)43-5)27(21-15-24(40-2)30(42-4)25(16-21)41-3)23-9-10-26(36-28(23)31(37)38)35-17-22-8-6-7-12-34-22/h6-16H,17-18H2,1-5H3,(H,35,36)
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Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50130026
PNG
(7-(2-Methyl-pyridin-4-ylmethyl)-8-oxo-2-(pyrimidin...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ncccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C31H29N5O7/c1-18-13-19(9-12-32-18)16-36-28(31(38)42-5)26(20-14-22(39-2)29(41-4)23(15-20)40-3)21-7-8-25(35-27(21)30(36)37)43-17-24-33-10-6-11-34-24/h6-15H,16-17H2,1-5H3
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Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50130019
PNG
(8-Oxo-2-(pyridin-2-ylmethoxy)-7-pyridin-3-ylmethyl...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1Cc1cccnc1
Show InChI InChI=1S/C31H28N4O7/c1-38-23-14-20(15-24(39-2)29(23)40-3)26-22-10-11-25(42-18-21-9-5-6-13-33-21)34-27(22)30(36)35(28(26)31(37)41-4)17-19-8-7-12-32-16-19/h5-16H,17-18H2,1-4H3
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Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50130016
PNG
(8-(2-Hydroxy-ethylamino)-2-(2-methyl-pyridin-4-ylm...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(NCCO)c2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C28H30N4O7/c1-16-12-17(6-8-29-16)15-32-24(28(35)39-5)22(18-13-20(36-2)25(38-4)21(14-18)37-3)19-7-9-30-26(31-10-11-33)23(19)27(32)34/h6-9,12-14,33H,10-11,15H2,1-5H3,(H,30,31)
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n/an/a 2.60n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50100670
PNG
(CHEMBL553786 | methyl 2-(4-aminophenyl)-1-oxo-7-(4...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccncc3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-20(16-27(39-2)30(26)40-3)28-24-10-9-23(42-18-19-11-13-34-14-12-19)17-25(24)31(36)35(29(28)32(37)41-4)22-7-5-21(33)6-8-22/h5-17H,18,33H2,1-4H3
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n/an/a 3.10n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)

J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a 3.90n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)

J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50337114
PNG
(2'-((1R)-1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C32H35NO4/c1-22(29-10-6-7-11-30(29)25-14-16-26(17-15-25)31(35)36)37-21-28(34)20-33-32(2,3)19-23-12-13-24-8-4-5-9-27(24)18-23/h4-18,22,28,33-34H,19-21H2,1-3H3,(H,35,36)/t22-,28-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay

ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))		BDBM50130020
PNG
(2-(2-Methyl-pyridin-4-ylmethyl)-1-oxo-8-(pyridin-2...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCc3ccccn3)c2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C32H30N4O7/c1-19-14-20(9-12-33-19)17-36-28(32(38)42-5)26(21-15-24(39-2)29(41-4)25(16-21)40-3)23-10-13-35-30(27(23)31(36)37)43-18-22-8-6-7-11-34-22/h6-16H,17-18H2,1-5H3
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n/an/a 4.40n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50100664
PNG
(2-(4-Amino-phenyl)-1-oxo-7-(2-pyridin-2-yl-ethoxy)...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C33H31N3O7/c1-39-27-17-20(18-28(40-2)31(27)41-3)29-25-13-12-24(43-16-14-22-7-5-6-15-35-22)19-26(25)32(37)36(30(29)33(38)42-4)23-10-8-21(34)9-11-23/h5-13,15,17-19H,14,16,34H2,1-4H3
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n/an/a 5n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)

J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50337116
PNG
(2'-((1R)-1-{(2R)-3-[2-methyl-1-(naphthalen-2-yl)pr...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C33H37NO4/c1-22-17-27(15-16-29(22)32(36)37)31-12-8-7-11-30(31)23(2)38-21-28(35)20-34-33(3,4)19-24-13-14-25-9-5-6-10-26(25)18-24/h5-18,23,28,34-35H,19-21H2,1-4H3,(H,36,37)/t23-,28-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay

ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))		BDBM50130025
PNG
(7-(2-Methyl-pyridin-4-ylmethyl)-8-oxo-2-(pyrazin-2...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3cnccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C31H29N5O7/c1-18-12-19(8-9-33-18)16-36-28(31(38)42-5)26(20-13-23(39-2)29(41-4)24(14-20)40-3)22-6-7-25(35-27(22)30(36)37)43-17-21-15-32-10-11-34-21/h6-15H,16-17H2,1-5H3
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n/an/a 7.70n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50100663
PNG
(CHEMBL542878 | methyl 2-(4-aminophenyl)-4-(3-hydro...)
Show SMILES COC(=O)c1c(-c2cc(O)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C31H27N3O7/c1-38-26-15-18(14-25(35)29(26)39-2)27-23-12-11-22(41-17-20-6-4-5-13-33-20)16-24(23)30(36)34(28(27)31(37)40-3)21-9-7-19(32)8-10-21/h4-16,35H,17,32H2,1-3H3
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n/an/a 8.5n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)

J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))		BDBM50130021
PNG
(7-(2-Methyl-pyridin-4-ylmethyl)-8-oxo-2-(pyridin-2...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C32H30N4O7/c1-19-14-20(11-13-33-19)17-36-29(32(38)42-5)27(21-15-24(39-2)30(41-4)25(16-21)40-3)23-9-10-26(35-28(23)31(36)37)43-18-22-8-6-7-12-34-22/h6-16H,17-18H2,1-5H3
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n/an/a 8.60n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50337113
PNG
((RS)-2'-(1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C32H35NO4/c1-22(29-10-6-7-11-30(29)25-14-16-26(17-15-25)31(35)36)37-21-28(34)20-33-32(2,3)19-23-12-13-24-8-4-5-9-27(24)18-23/h4-18,22,28,33-34H,19-21H2,1-3H3,(H,35,36)/t22?,28-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay

ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50130018
PNG
(8-Oxo-2-(pyridin-2-ylmethoxy)-7-pyridin-2-ylmethyl...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1Cc1ccccn1
Show InChI InChI=1S/C31H28N4O7/c1-38-23-15-19(16-24(39-2)29(23)40-3)26-22-11-12-25(42-18-21-10-6-8-14-33-21)34-27(22)30(36)35(28(26)31(37)41-4)17-20-9-5-7-13-32-20/h5-16H,17-18H2,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))		BDBM50130027
PNG
(8-Oxo-2-(pyridin-2-ylmethoxy)-7-pyridin-4-ylmethyl...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1Cc1ccncc1
Show InChI InChI=1S/C31H28N4O7/c1-38-23-15-20(16-24(39-2)29(23)40-3)26-22-8-9-25(42-18-21-7-5-6-12-33-21)34-27(22)30(36)35(28(26)31(37)41-4)17-19-10-13-32-14-11-19/h5-16H,17-18H2,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50337103
PNG
(2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay

ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 12n/an/an/an/an/an/a



Biomedicinal Information Research Center (BIRC)

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 after 30 mins by fluorescence assay

J Nat Prod 75: 285-9 (2012)


Article DOI: 10.1021/np200843k
BindingDB Entry DOI: 10.7270/Q2P84CXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50100678
PNG
(2-(4-Amino-phenyl)-4-(4-hydroxy-3,5-dimethoxy-phen...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(O)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C31H27N3O7/c1-38-25-14-18(15-26(39-2)29(25)35)27-23-12-11-22(41-17-20-6-4-5-13-33-20)16-24(23)30(36)34(28(27)31(37)40-3)21-9-7-19(32)8-10-21/h4-16,35H,17,32H2,1-3H3
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n/an/a 14n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)

J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50337105
PNG
((R)-1-((R)-cyclopropyl(2-(hydroxymethyl)phenyl)met...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)CO[C@H](C1CC1)c1ccccc1CO |r|
Show InChI InChI=1S/C28H35NO3/c1-28(2,16-20-11-12-21-7-3-4-8-23(21)15-20)29-17-25(31)19-32-27(22-13-14-22)26-10-6-5-9-24(26)18-30/h3-12,15,22,25,27,29-31H,13-14,16-19H2,1-2H3/t25-,27-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay

ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50100668
PNG
(CHEMBL542394 | ethyl 2-(4-aminophenyl)-1-oxo-7-(2-...)
Show SMILES CCOC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C33H31N3O7/c1-5-42-33(38)30-29(20-16-27(39-2)31(41-4)28(17-20)40-3)25-14-13-24(43-19-22-8-6-7-15-35-22)18-26(25)32(37)36(30)23-11-9-21(34)10-12-23/h6-18H,5,19,34H2,1-4H3
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n/an/a 18n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)

J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50337112
PNG
((RS)-3'-(1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cccc(c1)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C32H35NO4/c1-22(27-9-6-10-29(18-27)25-13-15-26(16-14-25)31(35)36)37-21-30(34)20-33-32(2,3)19-23-11-12-24-7-4-5-8-28(24)17-23/h4-18,22,30,33-34H,19-21H2,1-3H3,(H,35,36)/t22?,30-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay

ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50100667
PNG
(2-(4-Amino-phenyl)-7-methoxy-1-oxo-4-(3,4,5-trimet...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C27H26N2O7/c1-32-18-10-11-19-20(14-18)26(30)29(17-8-6-16(28)7-9-17)24(27(31)36-5)23(19)15-12-21(33-2)25(35-4)22(13-15)34-3/h6-14H,28H2,1-5H3
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n/an/a 20n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)

J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
Proteasome assembly chaperone 3


(Homo sapiens (Human))		BDBM50520988
PNG
(CHEMBL4435319)
Show SMILES COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Oc4c(C)c(C)c(C(=O)Oc5c(C)c(C)c(C(O)=O)c(OC)c5C)c(OC)c4C)c(O)c(C)c3O)c(C)c2OC)c(C)c(C)c1C(O)=O
Show InChI InChI=1S/C53H58O17/c1-19-23(5)41(30(12)44(63-15)34(19)49(56)57)69-52(61)36-21(3)25(7)40(29(11)46(36)65-17)67-48-27(9)33(38(54)28(10)39(48)55)51(60)68-43-26(8)22(4)37(47(66-18)32(43)14)53(62)70-42-24(6)20(2)35(50(58)59)45(64-16)31(42)13/h54-55H,1-18H3,(H,56,57)(H,58,59)
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n/an/a 20n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Inhibition of PAC3 homodimer (unknown origin) protein-protein interaction

Bioorg Med Chem 26: 6023-6034 (2018)


Article DOI: 10.1016/j.bmc.2018.11.001
BindingDB Entry DOI: 10.7270/Q24X5C69
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50100676
PNG
(2-(4-Amino-phenyl)-6,7-dimethoxy-1-oxo-4-(3,4,5-tr...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C28H28N2O8/c1-33-20-13-18-19(14-21(20)34-2)27(31)30(17-9-7-16(29)8-10-17)25(28(32)38-6)24(18)15-11-22(35-3)26(37-5)23(12-15)36-4/h7-14H,29H2,1-6H3
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n/an/a 21n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)

J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))		BDBM50130028
PNG
(7-(4-Amino-phenyl)-8-oxo-2-(pyridin-2-ylmethoxy)-5...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C31H28N4O7/c1-38-23-15-18(16-24(39-2)29(23)40-3)26-22-12-13-25(42-17-20-7-5-6-14-33-20)34-27(22)30(36)35(28(26)31(37)41-4)21-10-8-19(32)9-11-21/h5-16H,17,32H2,1-4H3
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n/an/a 22n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))		BDBM50366818
PNG
(CHEMBL1202833)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(NCc3ccccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C32H31N5O6/c1-19-14-20(11-13-33-19)18-37-29(32(39)43-5)27(21-15-24(40-2)30(42-4)25(16-21)41-3)23-9-10-26(36-28(23)31(37)38)35-17-22-8-6-7-12-34-22/h6-16H,17-18H2,1-5H3,(H,35,36)
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n/an/a 22n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50320009
PNG
((R)-1-((R)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...)
Show SMILES Cc1ccccc1[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r|
Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay

ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50337115
PNG
(2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C28H31ClFNO4/c1-18(23-6-4-5-7-24(23)20-9-11-21(12-10-20)27(33)34)35-17-22(32)16-31-28(2,3)15-19-8-13-25(29)26(30)14-19/h4-14,18,22,31-32H,15-17H2,1-3H3,(H,33,34)/t18-,22-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay

ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50337104
PNG
(3-[2-((1R)-1-{(2R)-2-Hydroxy-3-[2-methyl-1-(naphth...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1CCC(O)=O |r|
Show InChI InChI=1S/C28H35NO4/c1-20(26-11-7-6-9-23(26)14-15-27(31)32)33-19-25(30)18-29-28(2,3)17-21-12-13-22-8-4-5-10-24(22)16-21/h4-13,16,20,25,29-30H,14-15,17-19H2,1-3H3,(H,31,32)/t20-,25-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay

ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50100679
PNG
(6,7-Dimethoxy-2-morpholin-4-yl-1-oxo-4-(3,4,5-trim...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1N1CCOCC1
Show InChI InChI=1S/C26H30N2O9/c1-31-18-13-16-17(14-19(18)32-2)25(29)28(27-7-9-37-10-8-27)23(26(30)36-6)22(16)15-11-20(33-3)24(35-5)21(12-15)34-4/h11-14H,7-10H2,1-6H3
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n/an/a 26n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)

J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50100672
PNG
(2-(4-Amino-phenyl)-6,7-diethoxy-1-oxo-4-(3,4,5-tri...)
Show SMILES CCOc1cc2c(-c3cc(OC)c(OC)c(OC)c3)c(C(=O)OC)n(-c3ccc(N)cc3)c(=O)c2cc1OCC
Show InChI InChI=1S/C30H32N2O8/c1-7-39-22-15-20-21(16-23(22)40-8-2)29(33)32(19-11-9-18(31)10-12-19)27(30(34)38-6)26(20)17-13-24(35-3)28(37-5)25(14-17)36-4/h9-16H,7-8,31H2,1-6H3
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Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)

J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))		BDBM50100662
PNG
(CHEMBL553371 | CHEMBL77971 | methyl 2-(4-aminophen...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-19(16-27(39-2)30(26)40-3)28-24-13-12-23(42-18-21-7-5-6-14-34-21)17-25(24)31(36)35(29(28)32(37)41-4)22-10-8-20(33)9-11-22/h5-17H,18,33H2,1-4H3
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n/an/a 28n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
P04972/P11541/P16586/P22571/P23439/Q95142


(Bos taurus-Bos taurus (Bovine))		BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a 28n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina

Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)		BDBM50100660
PNG
(6,7-Dimethoxy-1-oxo-2-phenyl-4-(3,4,5-trimethoxy-p...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C28H27NO8/c1-32-20-14-18-19(15-21(20)33-2)27(30)29(17-10-8-7-9-11-17)25(28(31)37-6)24(18)16-12-22(34-3)26(36-5)23(13-16)35-4/h7-15H,1-6H3
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Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)

J Med Chem 44: 2204-18 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
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