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Compile Data Set for Download or QSAR

Found 185 hits with Last Name = 'ramanjulu' and Initial = 'm'   
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
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)
ADAM17


(Homo sapiens (Human))
BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
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)
Collagenase


(Homo sapiens (Human))
BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
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
Collagenase


(Homo sapiens (Human))
BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
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))
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))
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))
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
PDB
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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
PDB
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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
PDB
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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
PDB
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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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215123
PNG
(CHEMBL102876)
Show SMILES CC(C)Cn1cc(C)c2ccc(cc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
PDB
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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
PDB
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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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215937
PNG
(CHEMBL299332)
Show SMILES Cc1cn(CC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
PDB
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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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50214790
PNG
(CHEMBL262269)
Show SMILES Cc1cn(CCCCc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
PDB
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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
PDB
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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
PDB
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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
PDB
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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
PDB
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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
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP10


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
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
PDB
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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
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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215958
PNG
(CHEMBL445354)
Show SMILES Cc1cn(Cc2ccc(cc2)S(C)(=O)=O)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
PDB
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300n/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))
BDBM50215957
PNG
(CHEMBL55867)
Show SMILES Cc1cn(C2CCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
PDB
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374n/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))
BDBM50215058
PNG
(CHEMBL321760)
Show SMILES Cc1cn(Cc2nccn2Cc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
PDB
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393n/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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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660n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP7


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215936
PNG
(CHEMBL52712)
Show SMILES Cc1cn(c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl)S(=O)(=O)c1ccc(C)cc1
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712n/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))
BDBM50214384
PNG
(CHEMBL101368)
Show SMILES Cc1cn(Cc2ccc(cc2)S(C)(=O)=O)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
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1.12E+3n/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
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