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Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'travis' and Initial = 'j'   
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
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50001609
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O
Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33)
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0.140n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against LTB4 receptor using guinea pig (GP) spleen cell membrane


J Med Chem 35: 4253-5 (1992)


BindingDB Entry DOI: 10.7270/Q208648W
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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0.400n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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0.400n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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1n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL




Bioorg Med Chem Lett 8: 2737-42 (1998)


BindingDB Entry DOI: 10.7270/Q2GB267S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50001609
PNG
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O
Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33)
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2n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound against monkey neutrophil LTB4 receptor 2 min after an iv dose of 3 mg/kg .


J Med Chem 35: 4253-5 (1992)


BindingDB Entry DOI: 10.7270/Q208648W
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50279769
PNG
((S)-1-{(R)-2-[4-(4-Bromo-benzenesulfonylaminocarbo...)
Show SMILES CC(C)[C@@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H34BrF3N4O7S/c1-16(2)23(25(39)30(32,33)34)35-28(42)22-6-5-15-38(22)29(43)24(17(3)4)36-26(40)18-7-9-19(10-8-18)27(41)37-46(44,45)21-13-11-20(31)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)/t22-,23?,24+/m0/s1
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4n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase


J Med Chem 40: 3408-22 (1997)


Article DOI: 10.1021/jm970251r
BindingDB Entry DOI: 10.7270/Q26D5S4T
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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4.5n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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4.5n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215950
PNG
(CHEMBL55046)
Show SMILES Cc1cn(Cc2ccc3ccccc3c2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
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7n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50214362
PNG
(CHEMBL102635)
Show SMILES Cc1cn(CCC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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12n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215947
PNG
(CHEMBL53710)
Show SMILES COc1ccc(Cn2cc(C)c3ccc(cc23)C(=O)Nc2c(Cl)cncc2Cl)cc1
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13n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50279767
PNG
(CHEMBL268343 | {5-[4-(2-Carboxymethoxy-5-methoxy-b...)
Show SMILES COc1ccc(OCC(O)=O)c(Cc2cc(OCCCCCc3ccccc3)c(Cc3cc(OCC(O)=O)c(Cc4cc(OCCCCCc5ccccc5)c(Cc5cc(OCC(O)=O)c(Cc6cc(OCCCCCc7ccccc7)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1
Show InChI InChI=1S/C87H98O18/c1-59-40-76(95-3)64(47-75(59)100-37-23-11-20-32-60-26-14-8-15-27-60)42-71-50-79(98-6)67(54-83(71)104-57-86(90)91)44-70-49-78(97-5)66(53-82(70)102-39-25-13-22-34-62-30-18-10-19-31-62)45-72-51-80(99-7)68(55-84(72)105-58-87(92)93)43-69-48-77(96-4)65(41-63-46-73(94-2)35-36-74(63)103-56-85(88)89)52-81(69)101-38-24-12-21-33-61-28-16-9-17-29-61/h8-10,14-19,26-31,35-36,40,46-55H,11-13,20-25,32-34,37-39,41-45,56-58H2,1-7H3,(H,88,89)(H,90,91)(H,92,93)
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17n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase


J Med Chem 40: 3408-22 (1997)


Article DOI: 10.1021/jm970251r
BindingDB Entry DOI: 10.7270/Q26D5S4T
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50279765
PNG
(CHEMBL215405 | {2-{4-[5-Carboxymethoxy-4-(5-cycloh...)
Show SMILES COc1ccc(OCC(O)=O)c(Cc2cc(OCC3CCCCC3)c(Cc3cc(OCC(O)=O)c(Cc4cc(OCC5CCCCC5)c(Cc5cc(OCC(O)=O)c(Cc6cc(OCC7CCCCC7)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1
Show InChI InChI=1S/C75H92O18/c1-47-25-64(83-3)52(32-63(47)88-41-48-17-11-8-12-18-48)27-59-35-67(86-6)55(39-71(59)92-45-74(78)79)29-58-34-66(85-5)54(38-70(58)90-43-50-21-15-10-16-22-50)30-60-36-68(87-7)56(40-72(60)93-46-75(80)81)28-57-33-65(84-4)53(37-69(57)89-42-49-19-13-9-14-20-49)26-51-31-61(82-2)23-24-62(51)91-44-73(76)77/h23-25,31-40,48-50H,8-22,26-30,41-46H2,1-7H3,(H,76,77)(H,78,79)(H,80,81)
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20n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase


J Med Chem 40: 3408-22 (1997)


Article DOI: 10.1021/jm970251r
BindingDB Entry DOI: 10.7270/Q26D5S4T
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215945
PNG
(CHEMBL54988)
Show SMILES Cc1cn(CCC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
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21n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215955
PNG
(CHEMBL301448)
Show SMILES Cc1nc(Cn2cc(C)c3ccc(cc23)C(=O)Nc2c(Cl)cncc2Cl)cs1
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24n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50214422
PNG
(CHEMBL101479)
Show SMILES Cc1cn(CCCc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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30n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215125
PNG
(CHEMBL102503)
Show SMILES Cc1cn(CC2CCCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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30n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215127
PNG
(CHEMBL102310)
Show SMILES Cc1cn(C2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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38n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215948
PNG
(CHEMBL54361)
Show SMILES Cc1cn(CCCc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
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41n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50214506
PNG
(CHEMBL323069)
Show SMILES Cc1cn(Cc2ccc3ccccc3c2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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51n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215953
PNG
(CHEMBL292925)
Show SMILES COc1ccccc1Cn1cc(C)c2ccc(cc12)C(=O)Nc1c(Cl)cncc1Cl
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54n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50214749
PNG
(CHEMBL102741)
Show SMILES Cc1cn(Cc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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60n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215944
PNG
(CHEMBL54590)
Show SMILES Cc1cn(Cc2cccc3ccccc23)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
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60n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215057
PNG
(CHEMBL322837)
Show SMILES Cc1nc(Cn2cc(C)c3ccc(cc23)C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)cs1
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64n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215952
PNG
(CHEMBL55203)
Show SMILES CCCCCCCn1cc(C)c2ccc(cc12)C(=O)Nc1c(Cl)cncc1Cl
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66n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50214380
PNG
(CHEMBL323132)
Show SMILES Cc1cn(CCCC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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67n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215126
PNG
(CHEMBL414417)
Show SMILES Cc1cn(Cc2ccc(cc2)C(F)(F)F)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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67n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50214748
PNG
(CHEMBL103007)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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71n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215943
PNG
(CHEMBL417930)
Show SMILES Cc1cn(Cc2c(C)noc2C)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
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75n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215941
PNG
(CHEMBL300395)
Show SMILES Cc1cn(Cc2cccc(c2)[N+]([O-])=O)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
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75n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215940
PNG
(CHEMBL53559)
Show SMILES COc1cccc(Cn2cc(C)c3ccc(cc23)C(=O)Nc2c(Cl)cncc2Cl)c1
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75n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215108
PNG
(CHEMBL102758)
Show SMILES Cc1cn(Cc2ccc3OCOc3c2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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86n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215128
PNG
(CHEMBL318586)
Show SMILES Cc1cn(CC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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86n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50060330
PNG
(CHEMBL265335 | {5-[4-(2-Carboxymethoxy-5-methoxy-b...)
Show SMILES COc1ccc(OCC(O)=O)c(Cc2cc(OCCCc3ccccc3)c(Cc3cc(OCC(O)=O)c(Cc4cc(OCCCc5ccccc5)c(Cc5cc(OCC(O)=O)c(Cc6cc(OCCCc7ccccc7)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1
Show InChI InChI=1S/C81H86O18/c1-53-34-70(89-3)58(41-69(53)94-31-17-26-54-20-11-8-12-21-54)36-65-44-73(92-6)61(48-77(65)98-51-80(84)85)38-64-43-72(91-5)60(47-76(64)96-33-19-28-56-24-15-10-16-25-56)39-66-45-74(93-7)62(49-78(66)99-52-81(86)87)37-63-42-71(90-4)59(46-75(63)95-32-18-27-55-22-13-9-14-23-55)35-57-40-67(88-2)29-30-68(57)97-50-79(82)83/h8-16,20-25,29-30,34,40-49H,17-19,26-28,31-33,35-39,50-52H2,1-7H3,(H,82,83)(H,84,85)(H,86,87)
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100n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase


J Med Chem 40: 3408-22 (1997)


Article DOI: 10.1021/jm970251r
BindingDB Entry DOI: 10.7270/Q26D5S4T
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215123
PNG
(CHEMBL102876)
Show SMILES CC(C)Cn1cc(C)c2ccc(cc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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116n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215937
PNG
(CHEMBL299332)
Show SMILES Cc1cn(CC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
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120n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50279770
PNG
(2-{4-benzyloxy-5-[5-benzyloxy-4-(5-benzyloxy-4-{5-...)
Show SMILES OCc1cc(OCc2ccccc2)c(Cc2cc(OCc3ccccc3)c(Cc3cc(OCc4ccccc4)c(Cc4cc(OCc5ccccc5)c(Cc5cc(OCc6ccccc6)c(Cc6cc(O)ccc6OCC(O)=O)cc5OCC(O)=O)cc4OCC(O)=O)cc3OCC(O)=O)cc2OCC(O)=O)cc1OCC(O)=O
Show InChI InChI=1S/C89H80O25/c90-44-71-43-82(108-49-60-24-14-5-15-25-60)70(42-83(71)114-55-89(102)103)32-69-37-77(107-48-59-22-12-4-13-23-59)65(41-81(69)113-54-88(100)101)31-68-36-76(106-47-58-20-10-3-11-21-58)64(40-80(68)112-53-87(98)99)30-67-35-75(105-46-57-18-8-2-9-19-57)63(39-79(67)111-52-86(96)97)29-66-34-74(104-45-56-16-6-1-7-17-56)62(38-78(66)110-51-85(94)95)28-61-33-72(91)26-27-73(61)109-50-84(92)93/h1-27,33-43,90-91H,28-32,44-55H2,(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)
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120n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase


J Med Chem 40: 3408-22 (1997)


Article DOI: 10.1021/jm970251r
BindingDB Entry DOI: 10.7270/Q26D5S4T
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215937
PNG
(CHEMBL299332)
Show SMILES Cc1cn(CC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
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120n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50279771
PNG
(CHEMBL217744 | [4-Benzyloxy-5-{5-benzyloxy-4-[5-be...)
Show SMILES OCc1cc(OCc2ccccc2)c(Cc2cc(OCc3ccccc3)c(Cc3cc(OCc4ccccc4)c(Cc4cc(OCc5ccccc5)c(Cc5cc(O)ccc5OCC(O)=O)cc4OCC(O)=O)cc3OCC(O)=O)cc2OCC(O)=O)cc1OCC(O)=O
Show InChI InChI=1S/C73H66O21/c74-36-58-35-67(89-40-49-19-11-4-12-20-49)57(34-68(58)94-45-73(84)85)26-56-30-63(88-39-48-17-9-3-10-18-48)53(33-66(56)93-44-72(82)83)25-55-29-62(87-38-47-15-7-2-8-16-47)52(32-65(55)92-43-71(80)81)24-54-28-61(86-37-46-13-5-1-6-14-46)51(31-64(54)91-42-70(78)79)23-50-27-59(75)21-22-60(50)90-41-69(76)77/h1-22,27-35,74-75H,23-26,36-45H2,(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)
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130n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase


J Med Chem 40: 3408-22 (1997)


Article DOI: 10.1021/jm970251r
BindingDB Entry DOI: 10.7270/Q26D5S4T
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215942
PNG
(CHEMBL301201)
Show SMILES Cc1cn(Cc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
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135n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50214790
PNG
(CHEMBL262269)
Show SMILES Cc1cn(CCCCc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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135n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215942
PNG
(CHEMBL301201)
Show SMILES Cc1cn(Cc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
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135n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215956
PNG
(CHEMBL294831)
Show SMILES Cc1cn(CCN2CCOCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
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172n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215949
PNG
(CHEMBL54767)
Show SMILES Cc1cn(CCCC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
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187n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50279770
PNG
(2-{4-benzyloxy-5-[5-benzyloxy-4-(5-benzyloxy-4-{5-...)
Show SMILES OCc1cc(OCc2ccccc2)c(Cc2cc(OCc3ccccc3)c(Cc3cc(OCc4ccccc4)c(Cc4cc(OCc5ccccc5)c(Cc5cc(OCc6ccccc6)c(Cc6cc(O)ccc6OCC(O)=O)cc5OCC(O)=O)cc4OCC(O)=O)cc3OCC(O)=O)cc2OCC(O)=O)cc1OCC(O)=O
Show InChI InChI=1S/C89H80O25/c90-44-71-43-82(108-49-60-24-14-5-15-25-60)70(42-83(71)114-55-89(102)103)32-69-37-77(107-48-59-22-12-4-13-23-59)65(41-81(69)113-54-88(100)101)31-68-36-76(106-47-58-20-10-3-11-21-58)64(40-80(68)112-53-87(98)99)30-67-35-75(105-46-57-18-8-2-9-19-57)63(39-79(67)111-52-86(96)97)29-66-34-74(104-45-56-16-6-1-7-17-56)62(38-78(66)110-51-85(94)95)28-61-33-72(91)26-27-73(61)109-50-84(92)93/h1-27,33-43,90-91H,28-32,44-55H2,(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)
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190n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding Affinity of the compound to inhibit HLE


J Med Chem 40: 3408-22 (1997)


Article DOI: 10.1021/jm970251r
BindingDB Entry DOI: 10.7270/Q26D5S4T
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50279766
PNG
(CHEMBL213783 | {2-{5-Benzyloxy-4-[4-(5-benzyloxy-4...)
Show SMILES COc1cc(CO)c(OCc2ccccc2)cc1Cc1cc(OC)c(Cc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(O)ccc5OCC(O)=O)cc4OCc4ccccc4)cc3OCC(O)=O)cc2OCc2ccccc2)cc1OCC(O)=O
Show InChI InChI=1S/C74H72O19/c1-83-62-29-55(67(88-40-46-15-9-6-10-16-46)33-50(62)23-49-28-60(76)21-22-61(49)91-43-72(77)78)24-52-35-69(92-44-73(79)80)57(31-64(52)85-3)26-51-34-68(89-41-47-17-11-7-12-18-47)56(30-63(51)84-2)25-53-36-70(93-45-74(81)82)58(32-65(53)86-4)27-54-37-71(59(39-75)38-66(54)87-5)90-42-48-19-13-8-14-20-48/h6-22,28-38,75-76H,23-27,39-45H2,1-5H3,(H,77,78)(H,79,80)(H,81,82)
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200n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase


J Med Chem 40: 3408-22 (1997)


Article DOI: 10.1021/jm970251r
BindingDB Entry DOI: 10.7270/Q26D5S4T
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215939
PNG
(CHEMBL56406)
Show SMILES Cc1cn(Cc2ccc(cc2)C(N)=O)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
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220n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215124
PNG
(CHEMBL104780)
Show SMILES Cc1noc(C)c1Cn1cc(C)c2ccc(cc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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225n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3053-8 (1998)


BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50060332
PNG
(2-{5-[4-{2-carboxymethoxy-4-[4-(2-carboxymethoxy-5...)
Show SMILES COCCOCOc1cc(Cc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(OC)c(Cc6cc(OC)ccc6OCC(O)=O)cc5OCOCCOC)cc4OCC(O)=O)cc3OCOCCOC)cc2OCC(O)=O)c(OC)cc1C
Show InChI InChI=1S/C66H80O24/c1-41-19-55(77-6)43(26-54(41)88-38-82-16-13-73-2)21-48-27-56(78-7)45(31-60(48)86-36-65(69)70)24-51-30-59(81-10)47(34-63(51)90-40-84-18-15-75-4)22-49-28-57(79-8)46(32-61(49)87-37-66(71)72)23-50-29-58(80-9)44(33-62(50)89-39-83-17-14-74-3)20-42-25-52(76-5)11-12-53(42)85-35-64(67)68/h11-12,19,25-34H,13-18,20-24,35-40H2,1-10H3,(H,67,68)(H,69,70)(H,71,72)
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240n/an/an/an/an/an/a7.5n/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of thrombin at pH 7.5 in HEPES buffer containing 200 mM NaCl with substrate Bz-Phe-Val-Arg-pNA.


J Med Chem 40: 3408-22 (1997)


Article DOI: 10.1021/jm970251r
BindingDB Entry DOI: 10.7270/Q26D5S4T
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215951
PNG
(CHEMBL429356)
Show SMILES Cc1cn(CCc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
PDB
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280n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1867-72 (1998)


BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
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