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Compile Data Set for Download or QSAR

Found 477 hits with Last Name = 'stallings' and Initial = 'wc'   
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))
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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n/an/a 0.0700n/an/an/an/an/an/a



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))
BDBM50297794
PNG
(2-(4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-...)
Show SMILES COc1ccc(cn1)-c1ccc2nc(NCC(=O)N(C)C)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C24H30N6O3/c1-29(2)21(31)14-26-22-24(32)30(15-16-7-5-4-6-8-16)23-19(27-22)11-10-18(28-23)17-9-12-20(33-3)25-13-17/h9-13,16H,4-8,14-15H2,1-3H3,(H,26,27)
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297796
PNG
(4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2...)
Show SMILES COc1ncc(cn1)-c1ccc2nc(NCC3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C25H32N6O3/c1-33-25-27-14-19(15-28-25)20-7-8-21-23(30-20)31(16-18-5-3-2-4-6-18)24(32)22(29-21)26-13-17-9-11-34-12-10-17/h7-8,14-15,17-18H,2-6,9-13,16H2,1H3,(H,26,29)
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297795
PNG
(4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-2-(...)
Show SMILES COc1ccc(cn1)-c1ccc2nc(NCC3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C26H33N5O3/c1-33-23-10-7-20(16-27-23)21-8-9-22-25(30-21)31(17-19-5-3-2-4-6-19)26(32)24(29-22)28-15-18-11-13-34-14-12-18/h7-10,16,18-19H,2-6,11-15,17H2,1H3,(H,28,29)
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50296257
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2cc(cnc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-11-33-14-10-30-20-15-19(18-4-5-21(32-2)26-16-18)17-27-22(20)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,25,27,28)
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n/an/a 0.340n/an/an/an/an/an/a



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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297797
PNG
(4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-2-(...)
Show SMILES COc1ccc(cn1)-c1ccc2nc(NCCN3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C26H34N6O3/c1-34-23-10-7-20(17-28-23)21-8-9-22-25(30-21)32(18-19-5-3-2-4-6-19)26(33)24(29-22)27-11-12-31-13-15-35-16-14-31/h7-10,17,19H,2-6,11-16,18H2,1H3,(H,27,29)
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297798
PNG
(4-(cyclohexylmethyl)-6-(pyridin-4-yl)-2-((tetrahyd...)
Show SMILES O=c1c(NCC2CCOCC2)nc2ccc(nc2n1CC1CCCCC1)-c1ccncc1
Show InChI InChI=1S/C25H31N5O2/c31-25-23(27-16-18-10-14-32-15-11-18)28-22-7-6-21(20-8-12-26-13-9-20)29-24(22)30(25)17-19-4-2-1-3-5-19/h6-9,12-13,18-19H,1-5,10-11,14-17H2,(H,27,28)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50296253
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2cc(ccc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C25H33N5O4/c1-3-13-33-16-12-30-22-17-19(20-5-7-23(32-2)27-18-20)4-6-21(22)28-24(25(30)31)26-8-9-29-10-14-34-15-11-29/h4-7,17-18H,3,8-16H2,1-2H3,(H,26,28)
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n/an/a 0.900n/an/an/an/an/an/a



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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297799
PNG
(4-(cyclohexylmethyl)-6-(3,5-dimethylisoxazol-4-yl)...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(NCCN3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C25H34N6O3/c1-17-22(18(2)34-29-17)20-8-9-21-24(28-20)31(16-19-6-4-3-5-7-19)25(32)23(27-21)26-10-11-30-12-14-33-15-13-30/h8-9,19H,3-7,10-16H2,1-2H3,(H,26,27)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50296255
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2nc(cnc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H31N7O4/c1-3-11-33-14-10-30-22-20(26-16-18(27-22)17-4-5-19(32-2)25-15-17)28-21(23(30)31)24-6-7-29-8-12-34-13-9-29/h4-5,15-16H,3,6-14H2,1-2H3,(H,24,26,28)
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n/an/a 1.20n/an/an/an/an/an/a



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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50296254
PNG
(2-(6-methoxypyridin-3-yl)-6-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2nc(ncc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H31N7O4/c1-3-11-33-14-10-30-22-18(16-26-20(28-22)17-4-5-19(32-2)25-15-17)27-21(23(30)31)24-6-7-29-8-12-34-13-9-29/h4-5,15-16H,3,6-14H2,1-2H3,(H,24,27)
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n/an/a 1.20n/an/an/an/an/an/a



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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297800
PNG
(6-(4-fluorophenyl)-4-(4-methoxybenzyl)-2-(2-morpho...)
Show SMILES COc1ccc(Cn2c3nc(ccc3nc(NCCN3CCOCC3)c2=O)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H28FN5O3/c1-35-22-8-2-19(3-9-22)18-33-26-24(11-10-23(31-26)20-4-6-21(28)7-5-20)30-25(27(33)34)29-12-13-32-14-16-36-17-15-32/h2-11H,12-18H2,1H3,(H,29,30)
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297801
PNG
(4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-m...)
Show SMILES Fc1ccc(cc1F)-c1ccc2nc(NCCN3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C26H31F2N5O2/c27-20-7-6-19(16-21(20)28)22-8-9-23-25(31-22)33(17-18-4-2-1-3-5-18)26(34)24(30-23)29-10-11-32-12-14-35-15-13-32/h6-9,16,18H,1-5,10-15,17H2,(H,29,30)
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50167837
PNG
(3-Amino-N-((R)-sec-butyl)-5-{1-[(4-carbamimidoyl-b...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C28H36N8O3/c1-5-17(4)35-27(38)21-10-20(11-22(29)12-21)23-14-33-26(34-16(2)3)28(39)36(23)15-24(37)32-13-18-6-8-19(9-7-18)25(30)31/h6-12,14,16-17H,5,13,15,29H2,1-4H3,(H3,30,31)(H,32,37)(H,33,34)(H,35,38)/t17-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297802
PNG
(6-(3,4-difluorophenyl)-4-(4-methoxybenzyl)-2-(2-mo...)
Show SMILES COc1ccc(Cn2c3nc(ccc3nc(NCCN3CCOCC3)c2=O)-c2ccc(F)c(F)c2)cc1
Show InChI InChI=1S/C27H27F2N5O3/c1-36-20-5-2-18(3-6-20)17-34-26-24(9-8-23(32-26)19-4-7-21(28)22(29)16-19)31-25(27(34)35)30-10-11-33-12-14-37-15-13-33/h2-9,16H,10-15,17H2,1H3,(H,30,31)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297803
PNG
(6-(6-methoxypyridin-3-yl)-4-(2-propoxyethyl)-2-((t...)
Show SMILES CCCOCCn1c2nc(ccc2nc(NCC2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H31N5O4/c1-3-11-32-14-10-29-23-20(6-5-19(28-23)18-4-7-21(31-2)25-16-18)27-22(24(29)30)26-15-17-8-12-33-13-9-17/h4-7,16-17H,3,8-15H2,1-2H3,(H,26,27)
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n/an/a 2.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50296252
PNG
(6-(6-methoxypyridin-3-yl)-2-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2nc(ccc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-13-33-16-12-30-23-20(6-5-19(28-23)18-4-7-21(32-2)26-17-18)27-22(24(30)31)25-8-9-29-10-14-34-15-11-29/h4-7,17H,3,8-16H2,1-2H3,(H,25,27)
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297804
PNG
(6-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)-2-((tetr...)
Show SMILES Fc1ccc(cc1)-c1ccc2nc(NCC3CCOCC3)c(=O)n(Cc3cccnc3)c2n1
Show InChI InChI=1S/C25H24FN5O2/c26-20-5-3-19(4-6-20)21-7-8-22-24(30-21)31(16-18-2-1-11-27-14-18)25(32)23(29-22)28-15-17-9-12-33-13-10-17/h1-8,11,14,17H,9-10,12-13,15-16H2,(H,28,29)
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297805
PNG
(4-(3,5-difluorobenzyl)-6-(4-fluorophenyl)-2-((tetr...)
Show SMILES Fc1ccc(cc1)-c1ccc2nc(NCC3CCOCC3)c(=O)n(Cc3cc(F)cc(F)c3)c2n1
Show InChI InChI=1S/C26H23F3N4O2/c27-19-3-1-18(2-4-19)22-5-6-23-25(32-22)33(15-17-11-20(28)13-21(29)12-17)26(34)24(31-23)30-14-16-7-9-35-10-8-16/h1-6,11-13,16H,7-10,14-15H2,(H,30,31)
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n/an/a 2.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50296252
PNG
(6-(6-methoxypyridin-3-yl)-2-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2nc(ccc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-13-33-16-12-30-23-20(6-5-19(28-23)18-4-7-21(32-2)26-17-18)27-22(24(30)31)25-8-9-29-10-14-34-15-11-29/h4-7,17H,3,8-16H2,1-2H3,(H,25,27)
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n/an/a 2.90n/an/an/an/an/an/a



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))
BDBM50297806
PNG
(4-(cyclohexylmethyl)-6-(6-hydroxypyridin-3-yl)-2-(...)
Show SMILES O=c1ccc(c[nH]1)-c1ccc2nc(NCC3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C25H31N5O3/c31-22-9-6-19(15-26-22)20-7-8-21-24(29-20)30(16-18-4-2-1-3-5-18)25(32)23(28-21)27-14-17-10-12-33-13-11-17/h6-9,15,17-18H,1-5,10-14,16H2,(H,26,31)(H,27,28)
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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297807
PNG
(4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-((tetrah...)
Show SMILES Fc1ccc(cc1)-c1ccc2nc(NCC3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C26H31FN4O2/c27-21-8-6-20(7-9-21)22-10-11-23-25(30-22)31(17-19-4-2-1-3-5-19)26(32)24(29-23)28-16-18-12-14-33-15-13-18/h6-11,18-19H,1-5,12-17H2,(H,28,29)
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297808
PNG
(2-(4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxo-3...)
Show SMILES CN(C)C(=O)CNc1nc2ccc(nc2n(CC2CCCCC2)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C24H28FN5O2/c1-29(2)21(31)14-26-22-24(32)30(15-16-6-4-3-5-7-16)23-20(27-22)13-12-19(28-23)17-8-10-18(25)11-9-17/h8-13,16H,3-7,14-15H2,1-2H3,(H,26,27)
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297809
PNG
(4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morph...)
Show SMILES Fc1ccc(cc1)-c1ccc2nc(NCCN3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C26H32FN5O2/c27-21-8-6-20(7-9-21)22-10-11-23-25(30-22)32(18-19-4-2-1-3-5-19)26(33)24(29-23)28-12-13-31-14-16-34-17-15-31/h6-11,19H,1-5,12-18H2,(H,28,29)
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n/an/a 4.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50167830
PNG
(3-amino-N-[(2R)-butan-2-yl]-5-[1-({[(4-carbamimido...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(N)=O)C(N)=N
Show InChI InChI=1S/C29H37N9O4/c1-5-16(4)37-28(41)20-8-19(9-21(30)10-20)23-13-35-27(36-15(2)3)29(42)38(23)14-24(39)34-12-18-7-6-17(25(31)32)11-22(18)26(33)40/h6-11,13,15-16H,5,12,14,30H2,1-4H3,(H3,31,32)(H2,33,40)(H,34,39)(H,35,36)(H,37,41)/t16-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50167833
PNG
(3-amino-N-[(2R)-butan-2-yl]-5-(1-{[({4-carbamimido...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)Nc1ccncc1)C(N)=N
Show InChI InChI=1S/C34H40N10O4/c1-5-20(4)42-32(46)24-12-23(13-25(35)14-24)28-17-40-31(41-19(2)3)34(48)44(28)18-29(45)39-16-22-7-6-21(30(36)37)15-27(22)33(47)43-26-8-10-38-11-9-26/h6-15,17,19-20H,5,16,18,35H2,1-4H3,(H3,36,37)(H,39,45)(H,40,41)(H,42,46)(H,38,43,47)/t20-/m1/s1
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n/an/a 9.40n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM19440
PNG
(1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-...)
Show SMILES CC1CN(CC(C)N1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClN5/c1-13-11-26(12-14(2)23-13)20-18(15-7-9-22-10-8-15)19(24-25-20)16-3-5-17(21)6-4-16/h3-10,13-14,23H,11-12H2,1-2H3,(H,24,25)
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n/an/a 12n/an/an/an/a7.530



Pfizer



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorpor...


J Med Chem 50: 5712-9 (2007)


Article DOI: 10.1021/jm0611915
BindingDB Entry DOI: 10.7270/Q20G3HD5
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50167836
PNG
(3-amino-N-[(2R)-butan-2-yl]-5-(1-{[({4-carbamimido...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)NCC(F)(F)F)C(N)=N
Show InChI InChI=1S/C31H38F3N9O4/c1-5-17(4)42-28(45)21-8-20(9-22(35)10-21)24-13-39-27(41-16(2)3)30(47)43(24)14-25(44)38-12-19-7-6-18(26(36)37)11-23(19)29(46)40-15-31(32,33)34/h6-11,13,16-17H,5,12,14-15,35H2,1-4H3,(H3,36,37)(H,38,44)(H,39,41)(H,40,46)(H,42,45)/t17-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297810
PNG
(4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(pyridin...)
Show SMILES Fc1ccc(cc1)-c1ccc2nc(NCc3cccnc3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C26H26FN5O/c27-21-10-8-20(9-11-21)22-12-13-23-25(31-22)32(17-18-5-2-1-3-6-18)26(33)24(30-23)29-16-19-7-4-14-28-15-19/h4,7-15,18H,1-3,5-6,16-17H2,(H,29,30)
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297811
PNG
(2-(6-(6-methoxypyridin-3-yl)-3-oxo-4-(2-propoxyeth...)
Show SMILES CCCOCCn1c2nc(ccc2nc(NCC(=O)N(C)C)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H28N6O4/c1-5-11-32-12-10-28-21-17(25-20(22(28)30)24-14-19(29)27(2)3)8-7-16(26-21)15-6-9-18(31-4)23-13-15/h6-9,13H,5,10-12,14H2,1-4H3,(H,24,25)
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14593
PNG
(3-amino-5-[1-({[(4-carbamimidoylphenyl)methyl]carb...)
Show SMILES CC(C)Nc1nc(Cl)c(-c2cc(N)cc(c2)C(O)=O)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C24H26ClN7O4/c1-12(2)30-22-23(34)32(11-18(33)29-10-13-3-5-14(6-4-13)21(27)28)19(20(25)31-22)15-7-16(24(35)36)9-17(26)8-15/h3-9,12H,10-11,26H2,1-2H3,(H3,27,28)(H,29,33)(H,30,31)(H,35,36)
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n/an/a 16n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...


J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM19439
PNG
(1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-...)
Show SMILES CC1CN(CCN1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN5/c1-13-12-25(11-10-22-13)19-17(14-6-8-21-9-7-14)18(23-24-19)15-2-4-16(20)5-3-15/h2-9,13,22H,10-12H2,1H3,(H,23,24)
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n/an/a 16n/an/an/an/a7.530



Pfizer



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorpor...


J Med Chem 50: 5712-9 (2007)


Article DOI: 10.1021/jm0611915
BindingDB Entry DOI: 10.7270/Q20G3HD5
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14543
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1
Show InChI InChI=1S/C24H26ClN7O2/c25-21-20(16-3-1-4-17(26)11-16)32(24(34)23(31-21)30-18-5-2-6-18)13-19(33)29-12-14-7-9-15(10-8-14)22(27)28/h1,3-4,7-11,18H,2,5-6,12-13,26H2,(H3,27,28)(H,29,33)(H,30,31)
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n/an/a 20n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...


J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14535
PNG
(2-[6-(3-aminophenyl)-5-chloro-2-oxo-3-(propan-2-yl...)
Show SMILES CC(C)Nc1nc(Cl)c(-c2cccc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C23H26ClN7O2/c1-13(2)29-22-23(33)31(19(20(24)30-22)16-4-3-5-17(25)10-16)12-18(32)28-11-14-6-8-15(9-7-14)21(26)27/h3-10,13H,11-12,25H2,1-2H3,(H3,26,27)(H,28,32)(H,29,30)
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n/an/a 20n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...


J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50167835
PNG
(3-amino-N-[(2R)-butan-2-yl]-5-[1-({[(4-carbamimido...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)NCCN1CCOCC1)C(N)=N
Show InChI InChI=1S/C35H48N10O5/c1-5-22(4)43-33(47)26-14-25(15-27(36)16-26)29-19-41-32(42-21(2)3)35(49)45(29)20-30(46)40-18-24-7-6-23(31(37)38)17-28(24)34(48)39-8-9-44-10-12-50-13-11-44/h6-7,14-17,19,21-22H,5,8-13,18,20,36H2,1-4H3,(H3,37,38)(H,39,48)(H,40,46)(H,41,42)(H,43,47)/t22-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297812
PNG
(6-(4-fluorophenyl)-4-(pyridin-2-ylmethyl)-2-((tetr...)
Show SMILES Fc1ccc(cc1)-c1ccc2nc(NCC3CCOCC3)c(=O)n(Cc3ccccn3)c2n1
Show InChI InChI=1S/C25H24FN5O2/c26-19-6-4-18(5-7-19)21-8-9-22-24(30-21)31(16-20-3-1-2-12-27-20)25(32)23(29-22)28-15-17-10-13-33-14-11-17/h1-9,12,17H,10-11,13-16H2,(H,28,29)
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50167831
PNG
(CHEMBL189166 | {2-[(2-{6-[3-Amino-5-((R)-sec-butyl...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)NCC(O)=O)C(N)=N
Show InChI InChI=1S/C31H39N9O6/c1-5-17(4)39-29(44)21-8-20(9-22(32)10-21)24-13-36-28(38-16(2)3)31(46)40(24)15-25(41)35-12-19-7-6-18(27(33)34)11-23(19)30(45)37-14-26(42)43/h6-11,13,16-17H,5,12,14-15,32H2,1-4H3,(H3,33,34)(H,35,41)(H,36,38)(H,37,45)(H,39,44)(H,42,43)/t17-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297813
PNG
(6-(4-fluorophenyl)-4-(2-propoxyethyl)-2-((tetrahyd...)
Show SMILES CCCOCCn1c2nc(ccc2nc(NCC2CCOCC2)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C24H29FN4O3/c1-2-12-31-15-11-29-23-21(8-7-20(28-23)18-3-5-19(25)6-4-18)27-22(24(29)30)26-16-17-9-13-32-14-10-17/h3-8,17H,2,9-16H2,1H3,(H,26,27)
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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50167832
PNG
(CHEMBL189597 | {2-[(2-{6-[3-Amino-5-((R)-sec-butyl...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)NCC(=O)OC)C(N)=N
Show InChI InChI=1S/C32H41N9O6/c1-6-18(4)40-30(44)22-9-21(10-23(33)11-22)25-14-37-29(39-17(2)3)32(46)41(25)16-26(42)36-13-20-8-7-19(28(34)35)12-24(20)31(45)38-15-27(43)47-5/h7-12,14,17-18H,6,13,15-16,33H2,1-5H3,(H3,34,35)(H,36,42)(H,37,39)(H,38,45)(H,40,44)/t18-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297793
PNG
(1-(4-methoxybenzyl)-7-(pyridin-4-yl)quinolin-2(1H)...)
Show SMILES COc1ccc(Cn2c3cc(ccc3ccc2=O)-c2ccncc2)cc1
Show InChI InChI=1S/C22H18N2O2/c1-26-20-7-2-16(3-8-20)15-24-21-14-19(17-10-12-23-13-11-17)5-4-18(21)6-9-22(24)25/h2-14H,15H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50130063
PNG
((R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C34H39N7O5S2/c35-34(36)38-18-10-17-27(30(42)33-37-19-20-47-33)39-31(43)28(21-24-11-4-1-5-12-24)40-32(44)29(22-25-13-6-2-7-14-25)41-48(45,46)23-26-15-8-3-9-16-26/h1-9,11-16,19-20,27-29,41H,10,17-18,21-23H2,(H,39,43)(H,40,44)(H4,35,36,38)/t27-,28-,29+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of coagulation factor X


Bioorg Med Chem Lett 13: 2363-7 (2003)


BindingDB Entry DOI: 10.7270/Q2RX9CMS
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297814
PNG
(6-(2-methoxypyrimidin-5-yl)-2-(2-morpholinoethylam...)
Show SMILES CCCOCCn1c2nc(ccc2nc(NCCN2CCOCC2)c1=O)-c1cnc(OC)nc1
Show InChI InChI=1S/C23H31N7O4/c1-3-11-33-14-10-30-21-19(5-4-18(28-21)17-15-25-23(32-2)26-16-17)27-20(22(30)31)24-6-7-29-8-12-34-13-9-29/h4-5,15-16H,3,6-14H2,1-2H3,(H,24,27)
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n/an/a 27n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50130063
PNG
((R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C34H39N7O5S2/c35-34(36)38-18-10-17-27(30(42)33-37-19-20-47-33)39-31(43)28(21-24-11-4-1-5-12-24)40-32(44)29(22-25-13-6-2-7-14-25)41-48(45,46)23-26-15-8-3-9-16-26/h1-9,11-16,19-20,27-29,41H,10,17-18,21-23H2,(H,39,43)(H,40,44)(H4,35,36,38)/t27-,28-,29+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor X.


J Med Chem 46: 4043-9 (2003)


Article DOI: 10.1021/jm030130t
BindingDB Entry DOI: 10.7270/Q2BC4092
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297815
PNG
(2-amino-4-(cyclohexylmethyl)-6-(4-fluorophenyl)pyr...)
Show SMILES Nc1nc2ccc(nc2n(CC2CCCCC2)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN4O/c21-15-8-6-14(7-9-15)16-10-11-17-19(24-16)25(20(26)18(22)23-17)12-13-4-2-1-3-5-13/h6-11,13H,1-5,12H2,(H2,22,23)
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n/an/a 29n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM14543
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1
Show InChI InChI=1S/C24H26ClN7O2/c25-21-20(16-3-1-4-17(26)11-16)32(24(34)23(31-21)30-18-5-2-6-18)13-19(33)29-12-14-7-9-15(10-8-14)22(27)28/h1,3-4,7-11,18H,2,5-6,12-13,26H2,(H3,27,28)(H,29,33)(H,30,31)
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n/an/a 32n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against trypsin


Bioorg Med Chem Lett 13: 2319-25 (2003)


BindingDB Entry DOI: 10.7270/Q2G16068
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297816
PNG
(6-(4-fluorophenyl)-2-(2-morpholinoethylamino)-4-(2...)
Show SMILES CCCOCCn1c2nc(ccc2nc(NCCN2CCOCC2)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C24H30FN5O3/c1-2-14-32-17-13-30-23-21(8-7-20(28-23)18-3-5-19(25)6-4-18)27-22(24(30)31)26-9-10-29-11-15-33-16-12-29/h3-8H,2,9-17H2,1H3,(H,26,27)
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n/an/a 33n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297817
PNG
(4-(2-propoxyethyl)-6-(pyridin-4-yl)-2-((tetrahydro...)
Show SMILES CCCOCCn1c2nc(ccc2nc(NCC2CCOCC2)c1=O)-c1ccncc1
Show InChI InChI=1S/C23H29N5O3/c1-2-12-30-15-11-28-22-20(4-3-19(27-22)18-5-9-24-10-6-18)26-21(23(28)29)25-16-17-7-13-31-14-8-17/h3-6,9-10,17H,2,7-8,11-16H2,1H3,(H,25,26)
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n/an/a 34n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297818
PNG
(6-(3,5-dimethylisoxazol-4-yl)-2-(2-morpholinoethyl...)
Show SMILES CCCOCCn1c2nc(ccc2nc(NCCN2CCOCC2)c1=O)-c1c(C)noc1C
Show InChI InChI=1S/C23H32N6O4/c1-4-12-31-15-11-29-22-19(6-5-18(26-22)20-16(2)27-33-17(20)3)25-21(23(29)30)24-7-8-28-9-13-32-14-10-28/h5-6H,4,7-15H2,1-3H3,(H,24,25)
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n/an/a 37n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50133093
PNG
((R)-N-{(S)-1-[(S)-4-guanidino-1-(thiazole-2-carbon...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C28H35N7O6S2/c29-28(30)32-13-7-12-21(24(37)27-31-14-15-42-27)33-26(39)23(17-36)34-25(38)22(16-19-8-3-1-4-9-19)35-43(40,41)18-20-10-5-2-6-11-20/h1-6,8-11,14-15,21-23,35-36H,7,12-13,16-18H2,(H,33,39)(H,34,38)(H4,29,30,32)/t21-,22+,23-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin (IIa).


J Med Chem 46: 4043-9 (2003)


Article DOI: 10.1021/jm030130t
BindingDB Entry DOI: 10.7270/Q2BC4092
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM14520
PNG
(N-[(4-carbamimidoylphenyl)methyl]-2-(5-chloro-3-{[...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3cccc(Cl)c3)c2=O)-c2ccccc2)cc1
Show InChI InChI=1S/C28H26Cl2N6O2/c29-22-8-4-5-18(15-22)13-14-33-27-28(38)36(24(25(30)35-27)20-6-2-1-3-7-20)17-23(37)34-16-19-9-11-21(12-10-19)26(31)32/h1-12,15H,13-14,16-17H2,(H3,31,32)(H,33,35)(H,34,37)
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n/an/a<40n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Human thrombin and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate was...


J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
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