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Compile Data Set for Download or QSAR

Found 230 hits with Last Name = 'cleven' and Initial = 'r'   
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
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50287432
PNG
((S)-2-[(1-{Hydroxy-[(R)-1-(4-nitro-benzoylamino)-2...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(CP(O)(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(cc2)[N+]([O-])=O)CCCC1
Show InChI InChI=1S/C33H35N4O8P/c38-30(23-12-14-25(15-13-23)37(42)43)36-29(18-22-8-2-1-3-9-22)46(44,45)21-33(16-6-7-17-33)32(41)35-28(31(39)40)19-24-20-34-27-11-5-4-10-26(24)27/h1-5,8-15,20,28-29,34H,6-7,16-19,21H2,(H,35,41)(H,36,38)(H,39,40)(H,44,45)/t28-,29+/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of Angiotensin I converting enzyme

Bioorg Med Chem Lett 6: 1629-1634 (1996)


Article DOI: 10.1016/0960-894X(96)00297-1
BindingDB Entry DOI: 10.7270/Q2697437
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50287430
PNG
((S)-2-[(1-{[(R)-1-((S)-6-Amino-2-methanesulfonylam...)
Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C33H46N5O8PS/c1-48(45,46)38-27(15-7-10-18-34)30(39)37-29(19-23-11-3-2-4-12-23)47(43,44)22-33(16-8-9-17-33)32(42)36-28(31(40)41)20-24-21-35-26-14-6-5-13-25(24)26/h2-6,11-14,21,27-29,35,38H,7-10,15-20,22,34H2,1H3,(H,36,42)(H,37,39)(H,40,41)(H,43,44)/t27-,28-,29+/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of Angiotensin I converting enzyme

Bioorg Med Chem Lett 6: 1629-1634 (1996)


Article DOI: 10.1016/0960-894X(96)00297-1
BindingDB Entry DOI: 10.7270/Q2697437
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50059063
PNG
(1-{4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-6-chlor...)
Show SMILES OC(=O)C1CCN(CC1)c1nc(NCc2ccc3OCOc3c2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C22H21ClN4O4/c23-15-2-3-17-16(10-15)20(24-11-13-1-4-18-19(9-13)31-12-30-18)26-22(25-17)27-7-5-14(6-8-27)21(28)29/h1-4,9-10,14H,5-8,11-12H2,(H,28,29)(H,24,25,26)
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n/an/a 4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung

J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50059061
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-5-methyl-2-(phen...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C#Cc3ccccc3)n(Cc3ccccc3)c2C1=O |t:2|
Show InChI InChI=1S/C26H23N5O/c1-29-25(32)23-24(31-21-14-8-13-20(21)27-26(29)31)28-22(16-15-18-9-4-2-5-10-18)30(23)17-19-11-6-3-7-12-19/h2-7,9-12,20-21H,8,13-14,17H2,1H3/t20-,21+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung

J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50251742
PNG
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
compound was tested for inhibitory activity against neutral endopeptidase (NEP)

Bioorg Med Chem Lett 6: 1257-1260 (1996)


Article DOI: 10.1016/0960-894X(96)00211-9
BindingDB Entry DOI: 10.7270/Q2ZS2X1M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50073700
PNG
((R)-2-Hexyl-7-isopropyl-5-methyl-7,8-dihydro-3H,5H...)
Show SMILES CCCCCCc1nc2N3C[C@H](N=C3N(C)C(=O)c2[nH]1)C(C)C |c:12|
Show InChI InChI=1S/C17H27N5O/c1-5-6-7-8-9-13-19-14-15(20-13)22-10-12(11(2)3)18-17(22)21(4)16(14)23/h11-12H,5-10H2,1-4H3,(H,19,20)/t12-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)		BDBM50073692
PNG
(5-methyl-2-(4-methylpentyl)-(6aR,9aS)-3,4,5,8-tetr...)
Show SMILES CC(C)CCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:16|
Show InChI InChI=1S/C17H25N5O/c1-10(2)6-4-9-13-19-14-15(20-13)22-12-8-5-7-11(12)18-17(22)21(3)16(14)23/h10-12H,4-9H2,1-3H3,(H,19,20)/t11-,12+/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50073694
PNG
((R)-7-Isopropyl-5-methyl-2-(4-methyl-pentyl)-7,8-d...)
Show SMILES CC(C)CCCc1nc2N3C[C@H](N=C3N(C)C(=O)c2[nH]1)C(C)C |c:12|
Show InChI InChI=1S/C17H27N5O/c1-10(2)7-6-8-13-19-14-15(20-13)22-9-12(11(3)4)18-17(22)21(5)16(14)23/h10-12H,6-9H2,1-5H3,(H,19,20)/t12-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50073703
PNG
(2-Hexyl-5,7,7-trimethyl-7,8-dihydro-3H,5H-imidazo[...)
Show SMILES CCCCCCc1nc2N3CC(C)(C)N=C3N(C)C(=O)c2[nH]1 |c:14|
Show InChI InChI=1S/C16H25N5O/c1-5-6-7-8-9-11-17-12-13(18-11)21-10-16(2,3)19-15(21)20(4)14(12)22/h5-10H2,1-4H3,(H,17,18)
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n/an/a 8n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50059062
PNG
((6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl...)
Show SMILES CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:16|
Show InChI InChI=1S/C17H25N5O/c1-3-4-5-6-10-13-19-14-15(20-13)22-12-9-7-8-11(12)18-17(22)21(2)16(14)23/h11-12H,3-10H2,1-2H3,(H,19,20)/t11-,12+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung

J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50073692
PNG
(5-methyl-2-(4-methylpentyl)-(6aR,9aS)-3,4,5,8-tetr...)
Show SMILES CC(C)CCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:16|
Show InChI InChI=1S/C17H25N5O/c1-10(2)6-4-9-13-19-14-15(20-13)22-12-8-5-7-11(12)18-17(22)21(3)16(14)23/h10-12H,4-9H2,1-3H3,(H,19,20)/t11-,12+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50059062
PNG
((6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl...)
Show SMILES CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:16|
Show InChI InChI=1S/C17H25N5O/c1-3-4-5-6-10-13-19-14-15(20-13)22-12-9-7-8-11(12)18-17(22)21(2)16(14)23/h11-12H,3-10H2,1-2H3,(H,19,20)/t11-,12+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50059054
PNG
(5'-Methyl-2'-phenyl-3'-(phenylmethyl)spiro[cyclope...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccccc3)n(Cc3ccccc3)c2C1=O |t:2|
Show InChI InChI=1S/C25H25N5O/c1-28-23(31)20-22(30-17-25(27-24(28)30)14-8-9-15-25)26-21(19-12-6-3-7-13-19)29(20)16-18-10-4-2-5-11-18/h2-7,10-13H,8-9,14-17H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung

J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50073701
PNG
(2'-hexyl-5'-methylspiro[cyclopentane-1,7'-(4',5',7...)
Show SMILES CCCCCCc1nc2N3CC4(CCCC4)N=C3N(C)C(=O)c2[nH]1 |c:17|
Show InChI InChI=1S/C18H27N5O/c1-3-4-5-6-9-13-19-14-15(20-13)23-12-18(10-7-8-11-18)21-17(23)22(2)16(14)24/h3-12H2,1-2H3,(H,19,20)
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)		BDBM50073694
PNG
((R)-7-Isopropyl-5-methyl-2-(4-methyl-pentyl)-7,8-d...)
Show SMILES CC(C)CCCc1nc2N3C[C@H](N=C3N(C)C(=O)c2[nH]1)C(C)C |c:12|
Show InChI InChI=1S/C17H27N5O/c1-10(2)7-6-8-13-19-14-15(20-13)22-9-12(11(3)4)18-17(22)21(5)16(14)23/h10-12H,6-9H2,1-5H3,(H,19,20)/t12-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50073702
PNG
(2-heptyl-5-methyl-(6aR,9aS)-3,4,5,8-tetrahydrocycl...)
Show SMILES CCCCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:18|
Show InChI InChI=1S/C19H29N5O/c1-3-4-5-6-7-8-12-15-21-16-17(22-15)24-14-11-9-10-13(14)20-19(24)23(2)18(16)25/h13-14H,3-12H2,1-2H3,(H,21,22)/t13-,14+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of c-GMP specific phosphodiesterase PDE5 of bovine lung

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)		BDBM50073701
PNG
(2'-hexyl-5'-methylspiro[cyclopentane-1,7'-(4',5',7...)
Show SMILES CCCCCCc1nc2N3CC4(CCCC4)N=C3N(C)C(=O)c2[nH]1 |c:17|
Show InChI InChI=1S/C18H27N5O/c1-3-4-5-6-9-13-19-14-15(20-13)23-12-18(10-7-8-11-18)21-17(23)22(2)16(14)24/h3-12H2,1-2H3,(H,19,20)
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)		BDBM50059032
PNG
((6aR,9aS)-2-(3-methylbutyl)-5,6a,7,8,9,9a-hexahydr...)
Show SMILES CC(C)CCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:15|
Show InChI InChI=1S/C16H23N5O/c1-9(2)7-8-12-18-13-14(19-12)21-11-6-4-5-10(11)17-16(21)20(3)15(13)22/h9-11H,4-8H2,1-3H3,(H,18,19)/t10-,11+/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)		BDBM50073695
PNG
((R)-7-Isopropyl-5-methyl-2-(3-methyl-butyl)-7,8-di...)
Show SMILES CC(C)CCc1nc2N3C[C@H](N=C3N(C)C(=O)c2[nH]1)C(C)C |c:11|
Show InChI InChI=1S/C16H25N5O/c1-9(2)6-7-12-18-13-14(19-12)21-8-11(10(3)4)17-16(21)20(5)15(13)22/h9-11H,6-8H2,1-5H3,(H,18,19)/t11-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50059059
PNG
((6aR,9aS)-2-(Cyclohexylmethyl)-5,6a,7,8,9,9a-hexah...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CC3CCCCC3)[nH]c2C1=O |t:2|
Show InChI InChI=1S/C18H25N5O/c1-22-17(24)15-16(23-13-9-5-8-12(13)19-18(22)23)21-14(20-15)10-11-6-3-2-4-7-11/h11-13H,2-10H2,1H3,(H,20,21)/t12-,13+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung

J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50059023
PNG
(5'-Methyl-2'-(phenylmethyl)spiro[cyclopentane-1,7'...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccccc3)[nH]c2C1=O |t:2|
Show InChI InChI=1S/C19H21N5O/c1-23-17(25)15-16(21-14(20-15)11-13-7-3-2-4-8-13)24-12-19(22-18(23)24)9-5-6-10-19/h2-4,7-8H,5-6,9-12H2,1H3,(H,20,21)
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n/an/a 19n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung

J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50059029
PNG
((6aR,9aS)-5-ethyl-5,6a,7,8,9,9a-hexahydro-2-(pheny...)
Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)[nH]c2C1=O |t:3|
Show InChI InChI=1S/C19H21N5O/c1-2-23-18(25)16-17(24-14-10-6-9-13(14)20-19(23)24)22-15(21-16)11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,21,22)/t13-,14+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung

J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50073695
PNG
((R)-7-Isopropyl-5-methyl-2-(3-methyl-butyl)-7,8-di...)
Show SMILES CC(C)CCc1nc2N3C[C@H](N=C3N(C)C(=O)c2[nH]1)C(C)C |c:11|
Show InChI InChI=1S/C16H25N5O/c1-9(2)6-7-12-18-13-14(19-12)21-8-11(10(3)4)17-16(21)20(5)15(13)22/h9-11H,6-8H2,1-5H3,(H,18,19)/t11-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)		BDBM50073703
PNG
(2-Hexyl-5,7,7-trimethyl-7,8-dihydro-3H,5H-imidazo[...)
Show SMILES CCCCCCc1nc2N3CC(C)(C)N=C3N(C)C(=O)c2[nH]1 |c:14|
Show InChI InChI=1S/C16H25N5O/c1-5-6-7-8-9-11-17-12-13(18-11)21-10-16(2,3)19-15(21)20(4)14(12)22/h5-10H2,1-4H3,(H,17,18)
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)		BDBM50073700
PNG
((R)-2-Hexyl-7-isopropyl-5-methyl-7,8-dihydro-3H,5H...)
Show SMILES CCCCCCc1nc2N3C[C@H](N=C3N(C)C(=O)c2[nH]1)C(C)C |c:12|
Show InChI InChI=1S/C17H27N5O/c1-5-6-7-8-9-13-19-14-15(20-13)22-10-12(11(2)3)18-17(22)21(4)16(14)23/h11-12H,5-10H2,1-4H3,(H,19,20)/t12-/m0/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50287108
PNG
((S)-2-(2-{[1-((S)-6-Benzyloxycarbonylamino-2-metha...)
Show SMILES CC(C)CC(CP(O)([O-])=C(Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NS(C)(=O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O
Show InChI InChI=1S/C45H55N5O10PS/c1-30(2)23-36(42(51)48-40(44(53)54)26-35-27-47-38-18-10-9-17-37(35)38)29-61(56,57)41(25-32-20-21-33-15-7-8-16-34(33)24-32)49-43(52)39(50-62(3,58)59)19-11-12-22-46-45(55)60-28-31-13-5-4-6-14-31/h4-10,13-18,20-21,24,27,30,36,39-40,47,50H,11-12,19,22-23,25-26,28-29H2,1-3H3,(H5-,46,48,49,51,52,53,54,55,56,57)/q-1/p-1/t36?,39-,40-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Endothelin-converting enzyme of guinea pig lung membrane

Bioorg Med Chem Lett 6: 1257-1260 (1996)


Article DOI: 10.1016/0960-894X(96)00211-9
BindingDB Entry DOI: 10.7270/Q2ZS2X1M
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50059052
PNG
(5'-Methyl-2'-(cyclopentylmethyl)spiro[cyclopentane...)
Show SMILES CN1C2=NC3(CCCC3)CN2C2NC(CC3CCCC3)N=C2C1=O |c:23,t:2|
Show InChI InChI=1S/C18H27N5O/c1-22-16(24)14-15(20-13(19-14)10-12-6-2-3-7-12)23-11-18(21-17(22)23)8-4-5-9-18/h12-13,15,20H,2-11H2,1H3
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n/an/a 26n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung

J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50073698
PNG
(5-methyl-2-octyl-(6aR,9aS)-3,4,5,8-tetrahydrocyclo...)
Show SMILES CCCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:17|
Show InChI InChI=1S/C18H27N5O/c1-3-4-5-6-7-11-14-20-15-16(21-14)23-13-10-8-9-12(13)19-18(23)22(2)17(15)24/h12-13H,3-11H2,1-2H3,(H,20,21)/t12-,13+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)		BDBM50073696
PNG
(5-methyl-2-pentyl-(6aR,9aS)-3,4,5,8-tetrahydrocycl...)
Show SMILES CCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:15|
Show InChI InChI=1S/C16H23N5O/c1-3-4-5-9-12-18-13-14(19-12)21-11-8-6-7-10(11)17-16(21)20(2)15(13)22/h10-11H,3-9H2,1-2H3,(H,18,19)/t10-,11+/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)		BDBM50073702
PNG
(2-heptyl-5-methyl-(6aR,9aS)-3,4,5,8-tetrahydrocycl...)
Show SMILES CCCCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:18|
Show InChI InChI=1S/C19H29N5O/c1-3-4-5-6-7-8-12-15-21-16-17(22-15)24-14-11-9-10-13(14)20-19(24)23(2)18(16)25/h13-14H,3-12H2,1-2H3,(H,21,22)/t13-,14+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50059024
PNG
((6aR,9aS)-2-(Cyclopentylmethyl)-5,6a,7,8,9,9a-hexa...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CC3CCCC3)[nH]c2C1=O |t:2|
Show InChI InChI=1S/C17H23N5O/c1-21-16(23)14-15(20-13(19-14)9-10-5-2-3-6-10)22-12-8-4-7-11(12)18-17(21)22/h10-12H,2-9H2,1H3,(H,19,20)/t11-,12+/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung

J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)		BDBM50059062
PNG
((6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl...)
Show SMILES CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:16|
Show InChI InChI=1S/C17H25N5O/c1-3-4-5-6-10-13-19-14-15(20-13)22-12-9-7-8-11(12)18-17(22)21(2)16(14)23/h11-12H,3-10H2,1-2H3,(H,19,20)/t11-,12+/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50073696
PNG
(5-methyl-2-pentyl-(6aR,9aS)-3,4,5,8-tetrahydrocycl...)
Show SMILES CCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:15|
Show InChI InChI=1S/C16H23N5O/c1-3-4-5-9-12-18-13-14(19-12)21-11-8-6-7-10(11)17-16(21)20(2)15(13)22/h10-11H,3-9H2,1-2H3,(H,18,19)/t10-,11+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50287103
PNG
((S)-2-(2-{[1-((S)-6-Benzyloxycarbonylamino-2-metha...)
Show SMILES CC(C)CC(CP(O)([O-])=C(CC(C)C)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NS(C)(=O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O
Show InChI InChI=1S/C38H55N5O10PS/c1-25(2)19-29(35(44)41-33(37(46)47)21-28-22-40-31-16-10-9-15-30(28)31)24-54(49,50)34(20-26(3)4)42-36(45)32(43-55(5,51)52)17-11-12-18-39-38(48)53-23-27-13-7-6-8-14-27/h6-10,13-16,22,25-26,29,32-33,40,43H,11-12,17-21,23-24H2,1-5H3,(H5-,39,41,42,44,45,46,47,48,49,50)/q-1/p-1/t29?,32-,33-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Endothelin-converting enzyme of guinea pig lung membrane

Bioorg Med Chem Lett 6: 1257-1260 (1996)


Article DOI: 10.1016/0960-894X(96)00211-9
BindingDB Entry DOI: 10.7270/Q2ZS2X1M
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50059016
PNG
(5'-Methyl-2'-(biphenylmethyl)spiro[cyclopentane-1,...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccc(cc3)-c3ccccc3)[nH]c2C1=O |t:2|
Show InChI InChI=1S/C25H25N5O/c1-29-23(31)21-22(30-16-25(28-24(29)30)13-5-6-14-25)27-20(26-21)15-17-9-11-19(12-10-17)18-7-3-2-4-8-18/h2-4,7-12H,5-6,13-16H2,1H3,(H,26,27)
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n/an/a 43n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung

J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50059032
PNG
((6aR,9aS)-2-(3-methylbutyl)-5,6a,7,8,9,9a-hexahydr...)
Show SMILES CC(C)CCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:15|
Show InChI InChI=1S/C16H23N5O/c1-9(2)7-8-12-18-13-14(19-12)21-11-6-4-5-10(11)17-16(21)20(3)15(13)22/h9-11H,4-8H2,1-3H3,(H,18,19)/t10-,11+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung

J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50287432
PNG
((S)-2-[(1-{Hydroxy-[(R)-1-(4-nitro-benzoylamino)-2...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(CP(O)(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(cc2)[N+]([O-])=O)CCCC1
Show InChI InChI=1S/C33H35N4O8P/c38-30(23-12-14-25(15-13-23)37(42)43)36-29(18-22-8-2-1-3-9-22)46(44,45)21-33(16-6-7-17-33)32(41)35-28(31(39)40)19-24-20-34-27-11-5-4-10-26(24)27/h1-5,8-15,20,28-29,34H,6-7,16-19,21H2,(H,35,41)(H,36,38)(H,39,40)(H,44,45)/t28-,29+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of phosphoramidon-sensitive membrane bound zinc metalloprotease Endothelin-converting enzyme from partially purified guinea pig l...

Bioorg Med Chem Lett 6: 1629-1634 (1996)


Article DOI: 10.1016/0960-894X(96)00297-1
BindingDB Entry DOI: 10.7270/Q2697437
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50059032
PNG
((6aR,9aS)-2-(3-methylbutyl)-5,6a,7,8,9,9a-hexahydr...)
Show SMILES CC(C)CCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:15|
Show InChI InChI=1S/C16H23N5O/c1-9(2)7-8-12-18-13-14(19-12)21-11-6-4-5-10(11)17-16(21)20(3)15(13)22/h9-11H,4-8H2,1-3H3,(H,18,19)/t10-,11+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50287432
PNG
((S)-2-[(1-{Hydroxy-[(R)-1-(4-nitro-benzoylamino)-2...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(CP(O)(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(cc2)[N+]([O-])=O)CCCC1
Show InChI InChI=1S/C33H35N4O8P/c38-30(23-12-14-25(15-13-23)37(42)43)36-29(18-22-8-2-1-3-9-22)46(44,45)21-33(16-6-7-17-33)32(41)35-28(31(39)40)19-24-20-34-27-11-5-4-10-26(24)27/h1-5,8-15,20,28-29,34H,6-7,16-19,21H2,(H,35,41)(H,36,38)(H,39,40)(H,44,45)/t28-,29+/m0/s1
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n/an/a 55n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of neutral endopeptidase 24.11(NEP).

Bioorg Med Chem Lett 6: 1629-1634 (1996)


Article DOI: 10.1016/0960-894X(96)00297-1
BindingDB Entry DOI: 10.7270/Q2697437
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)		BDBM50073697
PNG
(5-methyl-2-(1-propylbutyl)-(6aR,9aS)-3,4,5,8-tetra...)
Show SMILES CCCC(CCC)c1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:17|
Show InChI InChI=1S/C18H27N5O/c1-4-7-11(8-5-2)15-20-14-16(21-15)23-13-10-6-9-12(13)19-18(23)22(3)17(14)24/h11-13H,4-10H2,1-3H3,(H,20,21)/t12-,13+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta

Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50287440
PNG
((S)-2-[(1-{[(R)-1-((S)-6-Benzyloxycarbonylamino-2-...)
Show SMILES CS(=O)(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C41H52N5O10PS/c1-58(54,55)46-34(20-10-13-23-42-40(51)56-27-30-16-6-3-7-17-30)37(47)45-36(24-29-14-4-2-5-15-29)57(52,53)28-41(21-11-12-22-41)39(50)44-35(38(48)49)25-31-26-43-33-19-9-8-18-32(31)33/h2-9,14-19,26,34-36,43,46H,10-13,20-25,27-28H2,1H3,(H,42,51)(H,44,50)(H,45,47)(H,48,49)(H,52,53)/t34-,35-,36+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of phosphoramidon-sensitive membrane bound zinc metalloprotease Endothelin-converting enzyme from partially purified guinea pig l...

Bioorg Med Chem Lett 6: 1629-1634 (1996)


Article DOI: 10.1016/0960-894X(96)00297-1
BindingDB Entry DOI: 10.7270/Q2697437
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50287107
PNG
((S)-2-(2-{[1-((S)-6-Amino-2-methanesulfonylamino-h...)
Show SMILES CC(C)CC(CP(O)([O-])=C(Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCCN)NS(C)(=O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O
Show InChI InChI=1S/C37H49N5O8PS/c1-24(2)18-29(35(43)40-33(37(45)46)21-28-22-39-31-13-7-6-12-30(28)31)23-51(47,48)34(20-25-15-16-26-10-4-5-11-27(26)19-25)41-36(44)32(14-8-9-17-38)42-52(3,49)50/h4-7,10-13,15-16,19,22,24,29,32-33,39,42H,8-9,14,17-18,20-21,23,38H2,1-3H3,(H4-,40,41,43,44,45,46,47,48)/q-1/p-1/t29?,32-,33-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Endothelin-converting enzyme of guinea pig lung membrane

Bioorg Med Chem Lett 6: 1257-1260 (1996)


Article DOI: 10.1016/0960-894X(96)00211-9
BindingDB Entry DOI: 10.7270/Q2ZS2X1M
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50059050
PNG
((6aR,9aS)-2-(Biphenylmethyl)-5,6a,7,8,9,9a-hexahyd...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccc(cc3)-c3ccccc3)[nH]c2C1=O |t:2|
Show InChI InChI=1S/C24H23N5O/c1-28-23(30)21-22(29-19-9-5-8-18(19)25-24(28)29)27-20(26-21)14-15-10-12-17(13-11-15)16-6-3-2-4-7-16/h2-4,6-7,10-13,18-19H,5,8-9,14H2,1H3,(H,26,27)/t18-,19+/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung

J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50287430
PNG
((S)-2-[(1-{[(R)-1-((S)-6-Amino-2-methanesulfonylam...)
Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C33H46N5O8PS/c1-48(45,46)38-27(15-7-10-18-34)30(39)37-29(19-23-11-3-2-4-12-23)47(43,44)22-33(16-8-9-17-33)32(42)36-28(31(40)41)20-24-21-35-26-14-6-5-13-25(24)26/h2-6,11-14,21,27-29,35,38H,7-10,15-20,22,34H2,1H3,(H,36,42)(H,37,39)(H,40,41)(H,43,44)/t27-,28-,29+/m0/s1
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of phosphoramidon-sensitive membrane bound zinc metalloprotease Endothelin-converting enzyme from partially purified guinea pig l...

Bioorg Med Chem Lett 6: 1629-1634 (1996)


Article DOI: 10.1016/0960-894X(96)00297-1
BindingDB Entry DOI: 10.7270/Q2697437
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50061899
PNG
(2',5'-Dimethyl-3'-(phenylmethyl)spiro[cyclopentane...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nn(C)c(Cc3ccccc3)c2C1=O |t:2|
Show InChI InChI=1S/C20H23N5O/c1-23-18(26)16-15(12-14-8-4-3-5-9-14)24(2)22-17(16)25-13-20(21-19(23)25)10-6-7-11-20/h3-5,8-9H,6-7,10-13H2,1-2H3
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n/an/a 75n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 from bovine lung

J Med Chem 40: 4372-7 (1998)


Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50059037
PNG
((6aR,9aS)-2-(Phenylmethyl)-5,6a,7,8,9,9a-hexahydro...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)[nH]c2C1=O |t:2|
Show InChI InChI=1S/C18H19N5O/c1-22-17(24)15-16(23-13-9-5-8-12(13)19-18(22)23)21-14(20-15)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,20,21)/t12-,13+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung

J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50059037
PNG
((6aR,9aS)-2-(Phenylmethyl)-5,6a,7,8,9,9a-hexahydro...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)[nH]c2C1=O |t:2|
Show InChI InChI=1S/C18H19N5O/c1-22-17(24)15-16(23-13-9-5-8-12(13)19-18(22)23)21-14(20-15)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,20,21)/t12-,13+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 from bovine lung

J Med Chem 40: 4372-7 (1998)


Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50287438
PNG
((S)-2-[(1-{[(R)-1-(4-Aminomethyl-benzoylamino)-2-p...)
Show SMILES NCc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C34H39N4O6P/c35-20-24-12-14-25(15-13-24)31(39)38-30(18-23-8-2-1-3-9-23)45(43,44)22-34(16-6-7-17-34)33(42)37-29(32(40)41)19-26-21-36-28-11-5-4-10-27(26)28/h1-5,8-15,21,29-30,36H,6-7,16-20,22,35H2,(H,37,42)(H,38,39)(H,40,41)(H,43,44)/t29-,30+/m0/s1
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n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of phosphoramidon-sensitive membrane bound zinc metalloprotease Endothelin-converting enzyme from partially purified guinea pig l...

Bioorg Med Chem Lett 6: 1629-1634 (1996)


Article DOI: 10.1016/0960-894X(96)00297-1
BindingDB Entry DOI: 10.7270/Q2697437
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50287430
PNG
((S)-2-[(1-{[(R)-1-((S)-6-Amino-2-methanesulfonylam...)
Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C33H46N5O8PS/c1-48(45,46)38-27(15-7-10-18-34)30(39)37-29(19-23-11-3-2-4-12-23)47(43,44)22-33(16-8-9-17-33)32(42)36-28(31(40)41)20-24-21-35-26-14-6-5-13-25(24)26/h2-6,11-14,21,27-29,35,38H,7-10,15-20,22,34H2,1H3,(H,36,42)(H,37,39)(H,40,41)(H,43,44)/t27-,28-,29+/m0/s1
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n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of neutral endopeptidase 24.11(NEP).

Bioorg Med Chem Lett 6: 1629-1634 (1996)


Article DOI: 10.1016/0960-894X(96)00297-1
BindingDB Entry DOI: 10.7270/Q2697437
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)		BDBM50061901
PNG
((+)(6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-2,5-dimethyl-...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(C)c(Cc3ccccc3)c2C1=O |t:2|
Show InChI InChI=1S/C19H21N5O/c1-22-18(25)16-15(11-12-7-4-3-5-8-12)23(2)21-17(16)24-14-10-6-9-13(14)20-19(22)24/h3-5,7-8,13-14H,6,9-11H2,1-2H3/t13-,14+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 from bovine lung

J Med Chem 40: 4372-7 (1998)


Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45
More data for this
Ligand-Target Pair
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