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Compile Data Set for Download or QSAR

Found 587 hits with Last Name = 'bond' and Initial = 'br'   
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


(Homo sapiens (Human))
BDBM50316640
PNG
(5-(4-(aminomethyl)piperidin-1-yl)-1-(2-ethoxyethyl...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CN)CC1
Show InChI InChI=1S/C23H34N8O/c1-4-18-20-21(31(29-18)12-13-32-5-2)22(26-19-14-16(3)6-9-25-19)28-23(27-20)30-10-7-17(15-24)8-11-30/h6,9,14,17H,4-5,7-8,10-13,15,24H2,1-3H3,(H,25,26,27,28)
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n/an/a 0.0100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50316638
PNG
(1-(2-ethoxyethyl)-3-ethyl-N7-(4-methylpyridin-2-yl...)
Show SMILES CCOCCn1nc(CC)c2nc(NCC3CCNCC3)nc(Nc3cc(C)ccn3)c12
Show InChI InChI=1S/C23H34N8O/c1-4-18-20-21(31(30-18)12-13-32-5-2)22(27-19-14-16(3)6-11-25-19)29-23(28-20)26-15-17-7-9-24-10-8-17/h6,11,14,17,24H,4-5,7-10,12-13,15H2,1-3H3,(H2,25,26,27,28,29)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357238
PNG
(CHEMBL1916488)
Show SMILES CCCOCCn1c2cc(nnc2c(nc1=O)N1CCC(CC1)C(O)=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H28N6O5/c1-3-11-34-12-10-29-18-13-17(16-4-5-19(33-2)24-14-16)26-27-20(18)21(25-23(29)32)28-8-6-15(7-9-28)22(30)31/h4-5,13-15H,3,6-12H2,1-2H3,(H,30,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357243
PNG
(CHEMBL1916483)
Show SMILES CCCOCCn1c2cc(nnc2c(NC2CCCC(C2)C(O)=O)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H30N6O5/c1-3-10-35-11-9-30-19-13-18(16-7-8-20(34-2)25-14-16)28-29-21(19)22(27-24(30)33)26-17-6-4-5-15(12-17)23(31)32/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,31,32)(H,26,27,33)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357234
PNG
(CHEMBL1916475)
Show SMILES CCCOCCn1c2cc(nnc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H30N6O4/c1-3-11-33-12-10-29-19-13-18(15-4-9-20(32-2)24-14-15)27-28-21(19)22(26-23(29)31)25-16-5-7-17(30)8-6-16/h4,9,13-14,16-17,30H,3,5-8,10-12H2,1-2H3,(H,25,26,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357241
PNG
(CHEMBL1916485)
Show SMILES CCCOCCn1c2cc(nnc2c(N[C@@H]2CCCC[C@@H]2C(O)=O)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H30N6O5/c1-3-11-35-12-10-30-19-13-18(15-8-9-20(34-2)25-14-15)28-29-21(19)22(27-24(30)33)26-17-7-5-4-6-16(17)23(31)32/h8-9,13-14,16-17H,3-7,10-12H2,1-2H3,(H,31,32)(H,26,27,33)/t16-,17+/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357240
PNG
(CHEMBL1916486)
Show SMILES CCCOCCn1c2cc(nnc2c(NC2CCC(CC2)C(O)=O)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H30N6O5/c1-3-11-35-12-10-30-19-13-18(16-6-9-20(34-2)25-14-16)28-29-21(19)22(27-24(30)33)26-17-7-4-15(5-8-17)23(31)32/h6,9,13-15,17H,3-5,7-8,10-12H2,1-2H3,(H,31,32)(H,26,27,33)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50316647
PNG
(1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C23H31N7O3/c1-4-17-19-20(30(28-17)12-13-33-5-2)21(25-18-14-15(3)6-9-24-18)27-23(26-19)29-10-7-16(8-11-29)22(31)32/h6,9,14,16H,4-5,7-8,10-13H2,1-3H3,(H,31,32)(H,24,25,26,27)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50300970
PNG
(7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(py...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCc2ccccn2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H26N6O3/c1-3-11-33-12-10-30-21-13-19(17-7-8-22(32-2)27-14-17)26-16-20(21)29-23(24(30)31)28-15-18-6-4-5-9-25-18/h4-9,13-14,16H,3,10-12,15H2,1-2H3,(H,28,29)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357250
PNG
(CHEMBL1916476)
Show SMILES COc1ccc(cn1)-c1cc2n(CCOCC(F)(F)F)c(=O)nc(NC3CCC(O)CC3)c2nn1
Show InChI InChI=1S/C22H25F3N6O4/c1-34-18-7-2-13(11-26-18)16-10-17-19(30-29-16)20(27-14-3-5-15(32)6-4-14)28-21(33)31(17)8-9-35-12-22(23,24)25/h2,7,10-11,14-15,32H,3-6,8-9,12H2,1H3,(H,27,28,33)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357239
PNG
(CHEMBL1916487)
Show SMILES CCCOCCn1c2cc(nnc2c(nc1=O)N1CCC(CC(O)=O)CC1)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H30N6O5/c1-3-11-35-12-10-30-19-14-18(17-4-5-20(34-2)25-15-17)27-28-22(19)23(26-24(30)33)29-8-6-16(7-9-29)13-21(31)32/h4-5,14-16H,3,6-13H2,1-2H3,(H,31,32)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50316646
PNG
(1-(1-(2-ethoxyethyl)-3-methyl-7-(4-methylpyridin-2...)
Show SMILES CCOCCn1nc(C)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C22H29N7O3/c1-4-32-12-11-29-19-18(15(3)27-29)25-22(28-9-6-16(7-10-28)21(30)31)26-20(19)24-17-13-14(2)5-8-23-17/h5,8,13,16H,4,6-7,9-12H2,1-3H3,(H,30,31)(H,23,24,25,26)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50300953
PNG
(3-[(trans-4-hydroxycyclohexyl)amino]-7-(6-methoxyp...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N[C@H]2CC[C@H](O)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H31N5O4/c1-3-11-33-12-10-29-21-13-19(16-4-9-22(32-2)26-14-16)25-15-20(21)28-23(24(29)31)27-17-5-7-18(30)8-6-17/h4,9,13-15,17-18,30H,3,5-8,10-12H2,1-2H3,(H,27,28)/t17-,18-
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50300964
PNG
(CHEMBL584270 | rac-7-(6-methoxypyridin-3-yl)-1-(2-...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC2CCCO2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H29N5O4/c1-3-9-31-11-8-28-20-12-18(16-6-7-21(30-2)25-13-16)24-15-19(20)27-22(23(28)29)26-14-17-5-4-10-32-17/h6-7,12-13,15,17H,3-5,8-11,14H2,1-2H3,(H,26,27)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357263
PNG
(CHEMBL1916293)
Show SMILES CCCOCCn1c2cc(ncc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H31N5O4/c1-3-11-33-12-10-29-21-13-20(16-4-9-22(32-2)26-14-16)25-15-19(21)23(28-24(29)31)27-17-5-7-18(30)8-6-17/h4,9,13-15,17-18,30H,3,5-8,10-12H2,1-2H3,(H,27,28,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357254
PNG
(CHEMBL1916303)
Show SMILES CCCOCCn1c2cc(nnc2c(NCCC(O)=O)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C20H24N6O5/c1-3-9-31-10-8-26-15-11-14(13-4-5-16(30-2)22-12-13)24-25-18(15)19(23-20(26)29)21-7-6-17(27)28/h4-5,11-12H,3,6-10H2,1-2H3,(H,27,28)(H,21,23,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357244
PNG
(CHEMBL1916482)
Show SMILES CCCOCCn1c2cc(nnc2c(NC(C)(C)C(O)=O)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H26N6O5/c1-5-9-32-10-8-27-15-11-14(13-6-7-16(31-4)22-12-13)25-26-17(15)18(23-20(27)30)24-21(2,3)19(28)29/h6-7,11-12H,5,8-10H2,1-4H3,(H,28,29)(H,23,24,30)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50300953
PNG
(3-[(trans-4-hydroxycyclohexyl)amino]-7-(6-methoxyp...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N[C@H]2CC[C@H](O)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H31N5O4/c1-3-11-33-12-10-29-21-13-19(16-4-9-22(32-2)26-14-16)25-15-20(21)28-23(24(29)31)27-17-5-7-18(30)8-6-17/h4,9,13-15,17-18,30H,3,5-8,10-12H2,1-2H3,(H,27,28)/t17-,18-
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50300972
PNG
(7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(py...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCc2cnccn2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H25N7O3/c1-3-9-33-10-8-30-20-11-18(16-4-5-21(32-2)27-12-16)26-15-19(20)29-22(23(30)31)28-14-17-13-24-6-7-25-17/h4-7,11-13,15H,3,8-10,14H2,1-2H3,(H,28,29)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357237
PNG
(CHEMBL1916489)
Show SMILES CCCOCCn1c2cc(nnc2c(nc1=O)N1CCCC(C1)C(O)=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H28N6O5/c1-3-10-34-11-9-29-18-12-17(15-6-7-19(33-2)24-13-15)26-27-20(18)21(25-23(29)32)28-8-4-5-16(14-28)22(30)31/h6-7,12-13,16H,3-5,8-11,14H2,1-2H3,(H,30,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50316642
PNG
((1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CO)CC1
Show InChI InChI=1S/C23H33N7O2/c1-4-18-20-21(30(28-18)12-13-32-5-2)22(25-19-14-16(3)6-9-24-19)27-23(26-20)29-10-7-17(15-31)8-11-29/h6,9,14,17,31H,4-5,7-8,10-13,15H2,1-3H3,(H,24,25,26,27)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50316651
PNG
(1-(2-ethoxyethyl)-3-ethyl-N-phenyl-5-(piperazin-1-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3ccccc3)c12)N1CCNCC1
Show InChI InChI=1S/C21H29N7O/c1-3-17-18-19(28(26-17)14-15-29-4-2)20(23-16-8-6-5-7-9-16)25-21(24-18)27-12-10-22-11-13-27/h5-9,22H,3-4,10-15H2,1-2H3,(H,23,24,25)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50316639
PNG
(5-(4-(aminomethyl)piperidin-1-yl)-1-(2-ethoxyethyl...)
Show SMILES CCOCCn1nc(C)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CN)CC1
Show InChI InChI=1S/C22H32N8O/c1-4-31-12-11-30-20-19(16(3)28-30)26-22(29-9-6-17(14-23)7-10-29)27-21(20)25-18-13-15(2)5-8-24-18/h5,8,13,17H,4,6-7,9-12,14,23H2,1-3H3,(H,24,25,26,27)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50300983
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-(4-methylpiperazin-...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC(=O)N2CCN(C)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C25H33N7O4/c1-4-12-36-13-11-32-21-14-19(18-5-6-22(35-3)27-15-18)26-16-20(21)29-24(25(32)34)28-17-23(33)31-9-7-30(2)8-10-31/h5-6,14-16H,4,7-13,17H2,1-3H3,(H,28,29)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50296256
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-11-33-14-10-30-21-15-19(18-4-5-22(32-2)27-16-18)26-17-20(21)28-23(24(30)31)25-6-7-29-8-12-34-13-9-29/h4-5,15-17H,3,6-14H2,1-2H3,(H,25,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50300976
PNG
(2-(7-(6-methoxypyridin-3-yl)-2-oxo-1-(2-propoxyeth...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC(=O)NC)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H26N6O4/c1-4-8-31-9-7-27-17-10-15(14-5-6-19(30-3)24-11-14)23-12-16(17)26-20(21(27)29)25-13-18(28)22-2/h5-6,10-12H,4,7-9,13H2,1-3H3,(H,22,28)(H,25,26)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50296256
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-11-33-14-10-30-21-15-19(18-4-5-22(32-2)27-16-18)26-17-20(21)28-23(24(30)31)25-6-7-29-8-12-34-13-9-29/h4-5,15-17H,3,6-14H2,1-2H3,(H,25,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4092-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.004
BindingDB Entry DOI: 10.7270/Q2ZG6S9Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50318137
PNG
((R)-3-ethyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidi...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(nc12)N1CCN[C@H](C)C1
Show InChI InChI=1S/C20H26F3N9O/c1-3-14-16-17(32(30-14)8-9-33-11-20(21,22)23)18(27-15-4-5-24-12-26-15)29-19(28-16)31-7-6-25-13(2)10-31/h4-5,12-13,25H,3,6-11H2,1-2H3,(H,24,26,27,28,29)/t13-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50316644
PNG
(1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C23H32N8O2/c1-4-17-19-20(31(29-17)12-13-33-5-2)22(26-18-14-15(3)6-9-25-18)28-23(27-19)30-10-7-16(8-11-30)21(24)32/h6,9,14,16H,4-5,7-8,10-13H2,1-3H3,(H2,24,32)(H,25,26,27,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50316645
PNG
(1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCCC(C1)C(N)=O
Show InChI InChI=1S/C23H32N8O2/c1-4-17-19-20(31(29-17)11-12-33-5-2)22(26-18-13-15(3)8-9-25-18)28-23(27-19)30-10-6-7-16(14-30)21(24)32/h8-9,13,16H,4-7,10-12,14H2,1-3H3,(H2,24,32)(H,25,26,27,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50300977
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-oxo-2-(pyrrolidin-1...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC(=O)N2CCCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H30N6O4/c1-3-11-34-12-10-30-20-13-18(17-6-7-21(33-2)26-14-17)25-15-19(20)28-23(24(30)32)27-16-22(31)29-8-4-5-9-29/h6-7,13-15H,3-5,8-12,16H2,1-2H3,(H,27,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357264
PNG
(CHEMBL1916291)
Show SMILES CCCOCCn1c2cc(ncc2c(NCCN2CCOCC2)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-11-33-14-10-30-21-15-20(18-4-5-22(32-2)27-16-18)26-17-19(21)23(28-24(30)31)25-6-7-29-8-12-34-13-9-29/h4-5,15-17H,3,6-14H2,1-2H3,(H,25,28,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50316666
PNG
(1-(2-ethoxyethyl)-3-ethyl-N5-methyl-N5-(1-methylpi...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C24H36N8O/c1-6-19-21-22(32(29-19)14-15-33-7-2)23(26-20-16-17(3)8-11-25-20)28-24(27-21)31(5)18-9-12-30(4)13-10-18/h8,11,16,18H,6-7,9-10,12-15H2,1-5H3,(H,25,26,27,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50300989
PNG
((S)-3-(2-hydroxypropylamino)-7-(6-methoxypyridin-3...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NC[C@H](C)O)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H27N5O4/c1-4-8-30-9-7-26-18-10-16(15-5-6-19(29-3)23-12-15)22-13-17(18)25-20(21(26)28)24-11-14(2)27/h5-6,10,12-14,27H,4,7-9,11H2,1-3H3,(H,24,25)/t14-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357258
PNG
(CHEMBL1916299)
Show SMILES CCCOCCn1c2cc(nnc2c(NCCN2CCOCC2)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H31N7O4/c1-3-11-33-14-10-30-19-15-18(17-4-5-20(32-2)25-16-17)27-28-21(19)22(26-23(30)31)24-6-7-29-8-12-34-13-9-29/h4-5,15-16H,3,6-14H2,1-2H3,(H,24,26,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50318144
PNG
(3-ethyl-N-(4-fluorophenyl)-5-(piperazin-1-yl)-1-(2...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccc(F)cc3)nc(nc12)N1CCNCC1
Show InChI InChI=1S/C21H25F4N7O/c1-2-16-17-18(32(30-16)11-12-33-13-21(23,24)25)19(27-15-5-3-14(22)4-6-15)29-20(28-17)31-9-7-26-8-10-31/h3-6,26H,2,7-13H2,1H3,(H,27,28,29)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50300991
PNG
((R)-3-(2-hydroxypropylamino)-7-(6-methoxypyridin-3...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NC[C@@H](C)O)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H27N5O4/c1-4-8-30-9-7-26-18-10-16(15-5-6-19(29-3)23-12-15)22-13-17(18)25-20(21(26)28)24-11-14(2)27/h5-6,10,12-14,27H,4,7-9,11H2,1-3H3,(H,24,25)/t14-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348677
PNG
(CHEMBL1801399)
Show SMILES CC(C)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H25F3N2O6S/c1-15(2)27-13-11-21(12-14-27,20(28)26-29)34(30,31)19-9-7-17(8-10-19)32-16-3-5-18(6-4-16)33-22(23,24)25/h3-10,15,29H,11-14H2,1-2H3,(H,26,28)
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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)


Article DOI: 10.1021/jm100669j
BindingDB Entry DOI: 10.7270/Q2KH0NQB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348647
PNG
(CHEMBL1801396)
Show SMILES CC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C21H21F3N2O7S/c1-14(27)26-12-10-20(11-13-26,19(28)25-29)34(30,31)18-8-6-16(7-9-18)32-15-2-4-17(5-3-15)33-21(22,23)24/h2-9,29H,10-13H2,1H3,(H,25,28)
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)


Article DOI: 10.1021/jm100669j
BindingDB Entry DOI: 10.7270/Q2KH0NQB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348684
PNG
(CHEMBL1801397)
Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H21F3N2O6S/c1-2-13-27-14-11-21(12-15-27,20(28)26-29)34(30,31)19-9-7-17(8-10-19)32-16-3-5-18(6-4-16)33-22(23,24)25/h1,3-10,29H,11-15H2,(H,26,28)
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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)


Article DOI: 10.1021/jm100669j
BindingDB Entry DOI: 10.7270/Q2KH0NQB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348686
PNG
(CHEMBL1801053)
Show SMILES CSc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C19H21NO6S2/c1-27-16-6-2-14(3-7-16)26-15-4-8-17(9-5-15)28(23,24)19(18(21)20-22)10-12-25-13-11-19/h2-9,22H,10-13H2,1H3,(H,20,21)
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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)


Article DOI: 10.1021/jm100669j
BindingDB Entry DOI: 10.7270/Q2KH0NQB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348687
PNG
(CHEMBL1801049)
Show SMILES CC(C)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C21H25NO7S/c1-15(2)28-16-3-5-17(6-4-16)29-18-7-9-19(10-8-18)30(25,26)21(20(23)22-24)11-13-27-14-12-21/h3-10,15,24H,11-14H2,1-2H3,(H,22,23)
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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)


Article DOI: 10.1021/jm100669j
BindingDB Entry DOI: 10.7270/Q2KH0NQB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348683
PNG
(CHEMBL1801048)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(O)cc2)cc1
Show InChI InChI=1S/C18H19NO7S/c20-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)19-22)9-11-25-12-10-18/h1-8,20,22H,9-12H2,(H,19,21)
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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)


Article DOI: 10.1021/jm100669j
BindingDB Entry DOI: 10.7270/Q2KH0NQB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50343077
PNG
(CHEMBL1771212 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H25F3N2O7S/c1-32-15-14-27-12-10-21(11-13-27,20(28)26-29)35(30,31)19-8-6-17(7-9-19)33-16-2-4-18(5-3-16)34-22(23,24)25/h2-9,29H,10-15H2,1H3,(H,26,28)
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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)


Article DOI: 10.1021/jm100669j
BindingDB Entry DOI: 10.7270/Q2KH0NQB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50343077
PNG
(CHEMBL1771212 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H25F3N2O7S/c1-32-15-14-27-12-10-21(11-13-27,20(28)26-29)35(30,31)19-8-6-17(7-9-19)33-16-2-4-18(5-3-16)34-22(23,24)25/h2-9,29H,10-15H2,1H3,(H,26,28)
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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)


Article DOI: 10.1021/jm100669j
BindingDB Entry DOI: 10.7270/Q2KH0NQB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348656
PNG
(CHEMBL1800089)
Show SMILES ONC(=O)C1(CCN(CCN2CCOCC2)CC1)S(=O)(=O)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H30F3N3O6S/c26-25(27,28)19-1-3-20(4-2-19)37-21-5-7-22(8-6-21)38(34,35)24(23(32)29-33)9-11-30(12-10-24)13-14-31-15-17-36-18-16-31/h1-8,33H,9-18H2,(H,29,32)
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)


Article DOI: 10.1021/jm100669j
BindingDB Entry DOI: 10.7270/Q2KH0NQB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348648
PNG
(CHEMBL1801394)
Show SMILES CCOCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H27F3N2O7S/c1-2-33-16-15-28-13-11-22(12-14-28,21(29)27-30)36(31,32)20-9-7-18(8-10-20)34-17-3-5-19(6-4-17)35-23(24,25)26/h3-10,30H,2,11-16H2,1H3,(H,27,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)


Article DOI: 10.1021/jm100669j
BindingDB Entry DOI: 10.7270/Q2KH0NQB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348652
PNG
(CHEMBL1801429)
Show SMILES ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-3-1-13(2-4-15)29-14-5-7-16(8-6-14)31(27,28)18(17(25)24-26)9-11-23-12-10-18/h1-8,23,26H,9-12H2,(H,24,25)
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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)


Article DOI: 10.1021/jm100669j
BindingDB Entry DOI: 10.7270/Q2KH0NQB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348651
PNG
(CHEMBL1801430)
Show SMILES ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H23F3N2O6S/c23-22(24,25)33-18-5-3-16(4-6-18)32-17-7-9-19(10-8-17)34(30,31)21(20(28)26-29)11-13-27(14-12-21)15-1-2-15/h3-10,15,29H,1-2,11-14H2,(H,26,28)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)


Article DOI: 10.1021/jm100669j
BindingDB Entry DOI: 10.7270/Q2KH0NQB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50348685
PNG
(CHEMBL1801395)
Show SMILES OCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C21H23F3N2O7S/c22-21(23,24)33-17-3-1-15(2-4-17)32-16-5-7-18(8-6-16)34(30,31)20(19(28)25-29)9-11-26(12-10-20)13-14-27/h1-8,27,29H,9-14H2,(H,25,28)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)


Article DOI: 10.1021/jm100669j
BindingDB Entry DOI: 10.7270/Q2KH0NQB
More data for this
Ligand-Target Pair
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