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Compile Data Set for Download or QSAR

Found 150 hits with Last Name = 'napoletano' 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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50286589
PNG
((S)-5-{(S)-2-[Bis-((R)-sec-butyl)-amino]-1-hydroxy...)
Show SMILES CC[C@@H](C)N(C[C@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC
Show InChI InChI=1S/C21H33ClN2O2/c1-5-15(3)23(16(4)6-2)14-20(25)19-11-12-21(26)24(19)13-17-9-7-8-10-18(17)22/h7-10,15-16,19-20,25H,5-6,11-14H2,1-4H3/t15-,16-,19+,20+/m1/s1
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0.25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-dihydromorphine (1 nM) binding to mu opioid receptor of rat brain homogenate


Bioorg Med Chem Lett 5: 589-592 (1995)


Article DOI: 10.1016/0960-894X(95)00077-7
BindingDB Entry DOI: 10.7270/Q2M908PK
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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1.5n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
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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1.5n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
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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1.5n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of human VCAM and Ramos cell VLA-4 interaction


Bioorg Med Chem Lett 11: 33-7 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3VZ5
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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1.60n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
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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1.60n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of human VCAM and Ramos cell VLA-4 interaction


Bioorg Med Chem Lett 11: 33-7 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3VZ5
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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1.60n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-dihydromorphine (1 nM) binding to mu opioid receptor of rat brain homogenate


Bioorg Med Chem Lett 5: 589-592 (1995)


Article DOI: 10.1016/0960-894X(95)00077-7
BindingDB Entry DOI: 10.7270/Q2M908PK
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219407
PNG
(CHEMBL84350)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1OC1CCCC1)S(C)(=O)=O |c:16|
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5n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218261
PNG
(CHEMBL74631)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OCCCCCc1ccccc1
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13n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[D-Pen2, D-Pen5]-enkephalin (2 nM) to Opioid receptor delta 1 of male Sprague-Dawley rat brain homogenate


Bioorg Med Chem Lett 5: 589-592 (1995)


Article DOI: 10.1016/0960-894X(95)00077-7
BindingDB Entry DOI: 10.7270/Q2M908PK
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218265
PNG
(CHEMBL308407)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1Cc2ccccc2C1
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16n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218578
PNG
(CHEMBL79902)
Show SMILES COc1ccc2c(Cc3c(Cl)c[n+]([O-])cc3Cl)nnc(-c3nccs3)c2c1
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17n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Affinity for alpha4-beta1 integrin from HL60 cell lysate


Bioorg Med Chem Lett 11: 33-7 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3VZ5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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27n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 9 (2nM) binding to Opioid receptor kappa 1 of rat brain homogenate


Bioorg Med Chem Lett 5: 589-592 (1995)


Article DOI: 10.1016/0960-894X(95)00077-7
BindingDB Entry DOI: 10.7270/Q2M908PK
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50286584
PNG
((S)-5-{(S)-2-[((R)-sec-Butyl)-((S)-sec-butyl)-amin...)
Show SMILES CC[C@H](C)N(C[C@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC
Show InChI InChI=1S/C21H33ClN2O2/c1-5-15(3)23(16(4)6-2)14-20(25)19-11-12-21(26)24(19)13-17-9-7-8-10-18(17)22/h7-10,15-16,19-20,25H,5-6,11-14H2,1-4H3/t15-,16+,19-,20-/m0/s1
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32n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-dihydromorphine (1 nM) binding to mu opioid receptor of rat brain homogenate


Bioorg Med Chem Lett 5: 589-592 (1995)


Article DOI: 10.1016/0960-894X(95)00077-7
BindingDB Entry DOI: 10.7270/Q2M908PK
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218586
PNG
(CHEMBL79471)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-c3nccs3)c2c1
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34n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 11: 33-7 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3VZ5
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50286586
PNG
((R)-5-{(R)-2-[Bis-((R)-sec-butyl)-amino]-1-hydroxy...)
Show SMILES CC[C@@H](C)N(C[C@@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC
Show InChI InChI=1S/C21H33ClN2O2/c1-5-15(3)23(16(4)6-2)14-20(25)19-11-12-21(26)24(19)13-17-9-7-8-10-18(17)22/h7-10,15-16,19-20,25H,5-6,11-14H2,1-4H3/t15-,16-,19-,20-/m1/s1
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35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-dihydromorphine (1 nM) binding to mu opioid receptor of rat brain homogenate


Bioorg Med Chem Lett 5: 589-592 (1995)


Article DOI: 10.1016/0960-894X(95)00077-7
BindingDB Entry DOI: 10.7270/Q2M908PK
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50346088
PNG
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)|
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-
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38n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 11: 33-7 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3VZ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50346088
PNG
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)|
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-
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38n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218262
PNG
(CHEMBL308158)
Show SMILES FC(F)Oc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
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46n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219414
PNG
(CHEMBL79661)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)S(C)(=O)=O |c:16|
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60n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50286589
PNG
((S)-5-{(S)-2-[Bis-((R)-sec-butyl)-amino]-1-hydroxy...)
Show SMILES CC[C@@H](C)N(C[C@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC
Show InChI InChI=1S/C21H33ClN2O2/c1-5-15(3)23(16(4)6-2)14-20(25)19-11-12-21(26)24(19)13-17-9-7-8-10-18(17)22/h7-10,15-16,19-20,25H,5-6,11-14H2,1-4H3/t15-,16-,19+,20+/m1/s1
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63n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 9 (2nM) binding to Opioid receptor kappa 1 of rat brain homogenate


Bioorg Med Chem Lett 5: 589-592 (1995)


Article DOI: 10.1016/0960-894X(95)00077-7
BindingDB Entry DOI: 10.7270/Q2M908PK
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219411
PNG
(CHEMBL82934)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(N)=O |c:16|
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63n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218267
PNG
(CHEMBL74404)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1C#CCCCc1ccccc1
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71n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50286587
PNG
((R)-5-{(R)-2-[((R)-sec-Butyl)-((S)-sec-butyl)-amin...)
Show SMILES CC[C@H](C)N(C[C@@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC
Show InChI InChI=1S/C21H33ClN2O2/c1-5-15(3)23(16(4)6-2)14-20(25)19-11-12-21(26)24(19)13-17-9-7-8-10-18(17)22/h7-10,15-16,19-20,25H,5-6,11-14H2,1-4H3/t15-,16+,19-,20-/m1/s1
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87n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-dihydromorphine (1 nM) binding to mu opioid receptor of rat brain homogenate


Bioorg Med Chem Lett 5: 589-592 (1995)


Article DOI: 10.1016/0960-894X(95)00077-7
BindingDB Entry DOI: 10.7270/Q2M908PK
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218589
PNG
(CHEMBL79535)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(N3CCCC3)c2c1
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89n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta1 VCAM binding in Jurkat cell adhesion assay


Bioorg Med Chem Lett 11: 33-7 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3VZ5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50092350
PNG
((5-Cyclopentyloxy-6-methoxy-phthalazin-1-yl)-(3,5-...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
Show InChI InChI=1S/C19H18Cl2N4O2/c1-26-16-7-6-12-13(18(16)27-11-4-2-3-5-11)8-23-25-19(12)24-17-14(20)9-22-10-15(17)21/h6-11H,2-5H2,1H3,(H,22,24,25)
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95n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50286580
PNG
((R)-5-{(S)-2-[Bis-((R)-sec-butyl)-amino]-1-hydroxy...)
Show SMILES CC[C@@H](C)N(C[C@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC
Show InChI InChI=1S/C21H33ClN2O2/c1-5-15(3)23(16(4)6-2)14-20(25)19-11-12-21(26)24(19)13-17-9-7-8-10-18(17)22/h7-10,15-16,19-20,25H,5-6,11-14H2,1-4H3/t15-,16-,19-,20+/m1/s1
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-dihydromorphine (1 nM) binding to mu opioid receptor of rat brain homogenate


Bioorg Med Chem Lett 5: 589-592 (1995)


Article DOI: 10.1016/0960-894X(95)00077-7
BindingDB Entry DOI: 10.7270/Q2M908PK
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218264
PNG
(CHEMBL72362)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)n[n+]([O-])cc2c1OC1CCCC1
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121n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219417
PNG
(CHEMBL421343)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1OC1CCCC1)C(C)=O |c:16|
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128n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219409
PNG
(CHEMBL354743)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C=O |c:16|
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138n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50286585
PNG
((S)-5-{(R)-2-[Bis-((S)-sec-butyl)-amino]-1-hydroxy...)
Show SMILES CC[C@H](C)N(C[C@@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@@H](C)CC
Show InChI InChI=1S/C21H33ClN2O2/c1-5-15(3)23(16(4)6-2)14-20(25)19-11-12-21(26)24(19)13-17-9-7-8-10-18(17)22/h7-10,15-16,19-20,25H,5-6,11-14H2,1-4H3/t15-,16-,19-,20+/m0/s1
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145n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-dihydromorphine (1 nM) binding to mu opioid receptor of rat brain homogenate


Bioorg Med Chem Lett 5: 589-592 (1995)


Article DOI: 10.1016/0960-894X(95)00077-7
BindingDB Entry DOI: 10.7270/Q2M908PK
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218260
PNG
(CHEMBL70391)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
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149n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 11: 33-7 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3VZ5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218260
PNG
(CHEMBL70391)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
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149n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218260
PNG
(CHEMBL70391)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
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149n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218268
PNG
(CHEMBL309341)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1\C=C\CCCc1ccccc1
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164n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50286591
PNG
((R)-5-{(S)-2-[((R)-sec-Butyl)-((S)-sec-butyl)-amin...)
Show SMILES CC[C@H](C)N(C[C@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC
Show InChI InChI=1S/C21H33ClN2O2/c1-5-15(3)23(16(4)6-2)14-20(25)19-11-12-21(26)24(19)13-17-9-7-8-10-18(17)22/h7-10,15-16,19-20,25H,5-6,11-14H2,1-4H3/t15-,16+,19-,20+/m1/s1
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198n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 9 (2nM) binding to Opioid receptor kappa 1 of rat brain homogenate


Bioorg Med Chem Lett 5: 589-592 (1995)


Article DOI: 10.1016/0960-894X(95)00077-7
BindingDB Entry DOI: 10.7270/Q2M908PK
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219404
PNG
(CHEMBL79739)
Show SMILES COC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25|
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199n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218588
PNG
(CHEMBL312375)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(C#C)c2c1
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204n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 11: 33-7 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3VZ5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219406
PNG
(CHEMBL309420)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)NO |c:16|
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208n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219413
PNG
(CHEMBL81226)
Show SMILES CCOC(=O)C(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:28|
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212n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219405
PNG
(CHEMBL81020)
Show SMILES CNC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25|
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235n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219410
PNG
(CHEMBL311025)
Show SMILES CCC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25|
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237n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 12: 5-8 (2002)


BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50286587
PNG
((R)-5-{(R)-2-[((R)-sec-Butyl)-((S)-sec-butyl)-amin...)
Show SMILES CC[C@H](C)N(C[C@@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC
Show InChI InChI=1S/C21H33ClN2O2/c1-5-15(3)23(16(4)6-2)14-20(25)19-11-12-21(26)24(19)13-17-9-7-8-10-18(17)22/h7-10,15-16,19-20,25H,5-6,11-14H2,1-4H3/t15-,16+,19-,20-/m1/s1
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260n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 9 (2nM) binding to Opioid receptor kappa 1 of rat brain homogenate


Bioorg Med Chem Lett 5: 589-592 (1995)


Article DOI: 10.1016/0960-894X(95)00077-7
BindingDB Entry DOI: 10.7270/Q2M908PK
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50286589
PNG
((S)-5-{(S)-2-[Bis-((R)-sec-butyl)-amino]-1-hydroxy...)
Show SMILES CC[C@@H](C)N(C[C@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC
Show InChI InChI=1S/C21H33ClN2O2/c1-5-15(3)23(16(4)6-2)14-20(25)19-11-12-21(26)24(19)13-17-9-7-8-10-18(17)22/h7-10,15-16,19-20,25H,5-6,11-14H2,1-4H3/t15-,16-,19+,20+/m1/s1
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265n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[D-Pen2, D-Pen5]-enkephalin (2 nM) to Opioid receptor delta 1 of male Sprague-Dawley rat brain homogenate


Bioorg Med Chem Lett 5: 589-592 (1995)


Article DOI: 10.1016/0960-894X(95)00077-7
BindingDB Entry DOI: 10.7270/Q2M908PK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50286583
PNG
((R)-5-{(S)-2-[Bis-((S)-sec-butyl)-amino]-1-hydroxy...)
Show SMILES CC[C@H](C)N(C[C@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@@H](C)CC
Show InChI InChI=1S/C21H33ClN2O2/c1-5-15(3)23(16(4)6-2)14-20(25)19-11-12-21(26)24(19)13-17-9-7-8-10-18(17)22/h7-10,15-16,19-20,25H,5-6,11-14H2,1-4H3/t15-,16-,19+,20-/m0/s1
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270n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 9 (2nM) binding to Opioid receptor kappa 1 of rat brain homogenate


Bioorg Med Chem Lett 5: 589-592 (1995)


Article DOI: 10.1016/0960-894X(95)00077-7
BindingDB Entry DOI: 10.7270/Q2M908PK
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218580
PNG
(CHEMBL310387)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-c3ccccc3)c2c1
PDB
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271n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 11: 33-7 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3VZ5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218269
PNG
(CHEMBL73640)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCOC1
PDB
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286n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218263
PNG
(CHEMBL419814)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1CCCCCc1ccccc1
PDB
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320n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2235-8 (2000)


BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50286588
PNG
((S)-5-{(R)-2-[((R)-sec-Butyl)-((S)-sec-butyl)-amin...)
Show SMILES CC[C@H](C)N(C[C@@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC
Show InChI InChI=1S/C21H33ClN2O2/c1-5-15(3)23(16(4)6-2)14-20(25)19-11-12-21(26)24(19)13-17-9-7-8-10-18(17)22/h7-10,15-16,19-20,25H,5-6,11-14H2,1-4H3/t15-,16+,19-,20+/m0/s1
PDB

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340n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-dihydromorphine (1 nM) binding to mu opioid receptor of rat brain homogenate


Bioorg Med Chem Lett 5: 589-592 (1995)


Article DOI: 10.1016/0960-894X(95)00077-7
BindingDB Entry DOI: 10.7270/Q2M908PK
More data for this
Ligand-Target Pair
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