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Compile Data Set for Download or QSAR

Found 350 hits with Last Name = 'moritani' and Initial = 'y'   
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
Coagulation factor X


(Homo sapiens (Human))		BDBM50358251
PNG
(CHEMBL1922344)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1 |r|
Show InChI InChI=1S/C33H38N4O10/c1-36-15-4-16-37(18-17-36)21-11-7-19(8-12-21)31(42)35-25-23(34-30(41)20-9-13-22(45-2)14-10-20)5-3-6-24(25)46-33-28(40)26(38)27(39)29(47-33)32(43)44/h3,5-14,26-29,33,38-40H,4,15-18H2,1-2H3,(H,34,41)(H,35,42)(H,43,44)/t26-,27-,28+,29-,33+/m0/s1
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 20n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by dixon plot analysis

J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50358252
PNG
(CHEMBL1922235)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
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 31n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by dixon plot analysis

J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM50358252
PNG
(CHEMBL1922235)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
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 1.10E+4n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using chromogenic substrate S2302 by dixon plot analysis

J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM50358251
PNG
(CHEMBL1922344)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1 |r|
Show InChI InChI=1S/C33H38N4O10/c1-36-15-4-16-37(18-17-36)21-11-7-19(8-12-21)31(42)35-25-23(34-30(41)20-9-13-22(45-2)14-10-20)5-3-6-24(25)46-33-28(40)26(38)27(39)29(47-33)32(43)44/h3,5-14,26-29,33,38-40H,4,15-18H2,1-2H3,(H,34,41)(H,35,42)(H,43,44)/t26-,27-,28+,29-,33+/m0/s1
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 1.70E+4n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using chromogenic substrate S2302 by dixon plot analysis

J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50358252
PNG
(CHEMBL1922235)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
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>1.00E+5n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using chromogenic substrate S2238 by dixon plot analysis

J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50358251
PNG
(CHEMBL1922344)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1 |r|
Show InChI InChI=1S/C33H38N4O10/c1-36-15-4-16-37(18-17-36)21-11-7-19(8-12-21)31(42)35-25-23(34-30(41)20-9-13-22(45-2)14-10-20)5-3-6-24(25)46-33-28(40)26(38)27(39)29(47-33)32(43)44/h3,5-14,26-29,33,38-40H,4,15-18H2,1-2H3,(H,34,41)(H,35,42)(H,43,44)/t26-,27-,28+,29-,33+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using chromogenic substrate S2238 by dixon plot analysis

J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
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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n/an/a 0.220n/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)		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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n/an/a 0.230n/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)		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 0.290n/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)		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 0.310n/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)		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 0.380n/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)		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
Extracellular calcium-sensing receptor


(Rattus norvegicus)		BDBM50272596
PNG
(CHEMBL4126450)
Show SMILES Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)-c1nn[nH]n1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H24N6.ClH/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-19-13-14-29(15-19)20-11-9-18(10-12-20)23-25-27-28-26-23;/h2-12,16,19,24H,13-15H2,1H3,(H,25,26,27,28);1H/t16-,19+;/m1./s1
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n/an/a 0.470n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
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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n/an/a 0.510n/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)		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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n/an/a 0.520n/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
Extracellular calcium-sensing receptor


(Rattus norvegicus)		BDBM50272602
PNG
(CHEMBL4126877)
Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCO)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C25H29N3O2.2ClH/c1-18(23-8-4-6-19-5-2-3-7-24(19)23)27-21-13-15-28(17-21)22-11-9-20(10-12-22)25(30)26-14-16-29;;/h2-12,18,21,27,29H,13-17H2,1H3,(H,26,30);2*1H/t18-,21+;;/m1../s1
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n/an/a 0.910n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
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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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)		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)		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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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)		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
Extracellular calcium-sensing receptor


(Rattus norvegicus)		BDBM50272605
PNG
(CHEMBL4128542)
Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCCN(C1)c1cccc(OC(F)(F)F)c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H25F3N2O.2ClH/c1-17(22-13-4-8-18-7-2-3-12-23(18)22)28-19-9-6-14-29(16-19)20-10-5-11-21(15-20)30-24(25,26)27;;/h2-5,7-8,10-13,15,17,19,28H,6,9,14,16H2,1H3;2*1H/t17-,19-;;/m1../s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
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
Extracellular calcium-sensing receptor


(Rattus norvegicus)		BDBM50272606
PNG
(CHEMBL4125917)
Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCCN(C1)c1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H25F3N2.2ClH/c1-17(22-13-4-8-18-7-2-3-12-23(18)22)28-20-10-6-14-29(16-20)21-11-5-9-19(15-21)24(25,26)27;;/h2-5,7-9,11-13,15,17,20,28H,6,10,14,16H2,1H3;2*1H/t17-,20-;;/m1../s1
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n/an/a 2.10n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
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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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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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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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


(Rattus norvegicus)		BDBM50272607
PNG
(CHEMBL4126057)
Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCN(C1)c1cccc(OC(F)(F)F)c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H23F3N2O.2ClH/c1-16(21-11-4-7-17-6-2-3-10-22(17)21)27-18-12-13-28(15-18)19-8-5-9-20(14-19)29-23(24,25)26;;/h2-11,14,16,18,27H,12-13,15H2,1H3;2*1H/t16-,18-;;/m1../s1
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n/an/a 4.30n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
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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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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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))		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 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


(Rattus norvegicus)		BDBM50272604
PNG
(CHEMBL4129011)
Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H23F3N2O.2ClH/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)27-18-13-14-28(15-18)19-9-11-20(12-10-19)29-23(24,25)26;;/h2-12,16,18,27H,13-15H2,1H3;2*1H/t16-,18+;;/m1../s1
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n/an/a 7.80n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Rattus norvegicus)		BDBM50261663
PNG
(CHEMBL4079960)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(O)=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H24N2O2/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-19-13-14-25(15-19)20-11-9-18(10-12-20)23(26)27/h2-12,16,19,24H,13-15H2,1H3,(H,26,27)/t16-,19+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50209900
PNG
(3-(({7-[amino(imino)methyl]-2-naphthyl}methyl)-{1-...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)N(Cc1ccc2ccc(cc2c1)C(N)=N)C(=O)CC(O)=O
Show InChI InChI=1S/C28H32N4O7S/c1-38-23-7-8-24(39-2)25(15-23)40(36,37)31-11-9-22(10-12-31)32(26(33)16-27(34)35)17-18-3-4-19-5-6-20(28(29)30)14-21(19)13-18/h3-8,13-15,22H,9-12,16-17H2,1-2H3,(H3,29,30)(H,34,35)
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n/an/a 8.10n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a

Bioorg Med Chem 15: 4175-92 (2007)


Article DOI: 10.1016/j.bmc.2007.03.066
BindingDB Entry DOI: 10.7270/Q27H1J90
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


(Rattus norvegicus)		BDBM50272608
PNG
(CHEMBL4125688)
Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCN(C1)c1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H23F3N2.2ClH/c1-16(21-11-4-7-17-6-2-3-10-22(17)21)27-19-12-13-28(15-19)20-9-5-8-18(14-20)23(24,25)26;;/h2-11,14,16,19,27H,12-13,15H2,1H3;2*1H/t16-,19-;;/m1../s1
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n/an/a 9.70n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50209891
PNG
(CHEMBL390266 | [(((E)-3-{3-[amino(imino)methyl]phe...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)N(C\C=C\c1cccc(c1)C(N)=N)S(=O)(=O)CC(O)=O
Show InChI InChI=1S/C25H32N4O8S2/c1-36-21-8-9-22(37-2)23(16-21)39(34,35)28-13-10-20(11-14-28)29(38(32,33)17-24(30)31)12-4-6-18-5-3-7-19(15-18)25(26)27/h3-9,15-16,20H,10-14,17H2,1-2H3,(H3,26,27)(H,30,31)/b6-4+
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n/an/a 10n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a

Bioorg Med Chem 15: 4175-92 (2007)


Article DOI: 10.1016/j.bmc.2007.03.066
BindingDB Entry DOI: 10.7270/Q27H1J90
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
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
Coagulation factor X


(Homo sapiens (Human))		BDBM50209893
PNG
(7-({[1-(2,5-dimethoxy-benzenesulfonyl)-piperidin-4...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)N(Cc1ccc2ccc(cc2c1)C(N)=N)S(C)(=O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-35-23-8-9-24(36-2)25(16-23)38(33,34)29-12-10-22(11-13-29)30(37(3,31)32)17-18-4-5-19-6-7-20(26(27)28)15-21(19)14-18/h4-9,14-16,22H,10-13,17H2,1-3H3,(H3,27,28)
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n/an/a 11n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a

Bioorg Med Chem 15: 4175-92 (2007)


Article DOI: 10.1016/j.bmc.2007.03.066
BindingDB Entry DOI: 10.7270/Q27H1J90
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Rattus norvegicus)		BDBM50272592
PNG
(CHEMBL4125724)
Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1cccc(OC(F)(F)F)c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H23F3N2O.2ClH/c1-16(21-11-4-7-17-6-2-3-10-22(17)21)27-18-12-13-28(15-18)19-8-5-9-20(14-19)29-23(24,25)26;;/h2-11,14,16,18,27H,12-13,15H2,1H3;2*1H/t16-,18+;;/m1../s1
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n/an/a 12n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50209895
PNG
(CHEMBL244221 | N-({7-[amino(imino)methyl]-2-naphth...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)N(Cc1ccc2ccc(cc2c1)C(N)=N)C(C)=O
Show InChI InChI=1S/C27H32N4O5S/c1-18(32)31(17-19-4-5-20-6-7-21(27(28)29)15-22(20)14-19)23-10-12-30(13-11-23)37(33,34)26-16-24(35-2)8-9-25(26)36-3/h4-9,14-16,23H,10-13,17H2,1-3H3,(H3,28,29)
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n/an/a 12n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a

Bioorg Med Chem 15: 4175-92 (2007)


Article DOI: 10.1016/j.bmc.2007.03.066
BindingDB Entry DOI: 10.7270/Q27H1J90
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Rattus norvegicus)		BDBM50272595
PNG
(CHEMBL4127153)
Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H23F3N2.2ClH/c1-16(21-11-4-7-17-6-2-3-10-22(17)21)27-19-12-13-28(15-19)20-9-5-8-18(14-20)23(24,25)26;;/h2-11,14,16,19,27H,12-13,15H2,1H3;2*1H/t16-,19+;;/m1../s1
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n/an/a 13n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50209899
PNG
(3-(((E)-3-{3-[amino(imino)methyl]phenyl}prop-2-en-...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)N(C\C=C\c1cccc(c1)C(N)=N)C(=O)CC(O)=O
Show InChI InChI=1S/C26H32N4O7S/c1-36-21-8-9-22(37-2)23(16-21)38(34,35)29-13-10-20(11-14-29)30(24(31)17-25(32)33)12-4-6-18-5-3-7-19(15-18)26(27)28/h3-9,15-16,20H,10-14,17H2,1-2H3,(H3,27,28)(H,32,33)/b6-4+
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n/an/a 13n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a

Bioorg Med Chem 15: 4175-92 (2007)


Article DOI: 10.1016/j.bmc.2007.03.066
BindingDB Entry DOI: 10.7270/Q27H1J90
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50209904
PNG
(CHEMBL244436 | [(({7-[amino(imino)methyl]-2-naphth...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)N(Cc1ccc2ccc(cc2c1)C(N)=N)S(=O)(=O)CC(O)=O
Show InChI InChI=1S/C27H32N4O8S2/c1-38-23-7-8-24(39-2)25(15-23)41(36,37)30-11-9-22(10-12-30)31(40(34,35)17-26(32)33)16-18-3-4-19-5-6-20(27(28)29)14-21(19)13-18/h3-8,13-15,22H,9-12,16-17H2,1-2H3,(H3,28,29)(H,32,33)
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n/an/a 13n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a

Bioorg Med Chem 15: 4175-92 (2007)


Article DOI: 10.1016/j.bmc.2007.03.066
BindingDB Entry DOI: 10.7270/Q27H1J90
More data for this
Ligand-Target Pair
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