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12 similar compounds to monomer 50229039

Compile data set for download or QSAR
Wt: 487.5
BDBM50229008
Wt: 649.8
BDBM50229036
Wt: 313.3
BDBM50229061
Wt: 299.2
BDBM50229062
Wt: 221.2
BDBM50229063
Wt: 372.3
BDBM50229037
Wt: 405.4
BDBM50229038
Wt: 235.3
BDBM50229059
Wt: 330.4
BDBM50229035
Wt: 353.4
BDBM50229060
Wt: 465.5
BDBM50229006
Wt: 431.4
BDBM50229007

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50229008,50229036,50229061,50229062,50229063,50229037,50229038,50229059,50229035,50229060,50229006,50229007   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50229037
PNG
(CHEMBL156328)
Show SMILES OC(=O)c1cccc(c1)-n1c2ccccc2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H16N2O4/c25-20-18-11-4-5-12-19(18)24(17-10-6-9-16(13-17)21(26)27)22(28)23(20)14-15-7-2-1-3-8-15/h1-13H,14H2,(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 from rat brain cortex


J Med Chem 34: 624-8 (1991)


Article DOI: 10.1021/jm00106a024
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50229036
PNG
(CHEMBL323014)
Show SMILES CC(C)(C)NC(=O)C1CC2CCCCC2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C36H51N5O6/c1-36(2,3)40-34(45)30-19-26-16-10-11-17-27(26)21-41(30)22-31(42)28(18-24-12-6-4-7-13-24)38-33(44)29(20-32(37)43)39-35(46)47-23-25-14-8-5-9-15-25/h4-9,12-15,26-31,42H,10-11,16-23H2,1-3H3,(H2,37,43)(H,38,44)(H,39,46)(H,40,45)/t26?,27?,28-,29-,30?,31+/m0/s1
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n/an/a<2.70n/an/an/an/an/an/a



Roche Products Ltd.

Curated by ChEMBL


Assay Description
Binding activity against HIV-1 Protease


J Med Chem 34: 3340-2 (1991)


Article DOI: 10.1021/jm00115a028
BindingDB Entry DOI: 10.7270/Q2B858Q3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50229038
PNG
(CHEMBL345917)
Show SMILES COC(=O)c1cccc(c1)-n1c2ncccc2c(=O)n(CC2CC3CCC2C3)c1=O
Show InChI InChI=1S/C23H23N3O4/c1-30-22(28)16-4-2-5-18(12-16)26-20-19(6-3-9-24-20)21(27)25(23(26)29)13-17-11-14-7-8-15(17)10-14/h2-6,9,12,14-15,17H,7-8,10-11,13H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 from rat brain cortex


J Med Chem 34: 624-8 (1991)


Article DOI: 10.1021/jm00106a024
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50229037
PNG
(CHEMBL156328)
Show SMILES OC(=O)c1cccc(c1)-n1c2ccccc2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H16N2O4/c25-20-18-11-4-5-12-19(18)24(17-10-6-9-16(13-17)21(26)27)22(28)23(20)14-15-7-2-1-3-8-15/h1-13H,14H2,(H,26,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram binding to Phosphodiesterase 4 in rat brain


J Med Chem 34: 624-8 (1991)


Article DOI: 10.1021/jm00106a024
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50229059
PNG
(CHEMBL159708)
Show SMILES CCCCc1noc(n1)C1=CCC(C)N(C)C1
Show InChI InChI=1S/C13H21N3O/c1-4-5-6-12-14-13(17-15-12)11-8-7-10(2)16(3)9-11/h8,10H,4-7,9H2,1-3H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ileum.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229060
PNG
(CHEMBL161007)
Show SMILES OC(=O)C(O)=O.CCCCCCCc1noc(n1)C1=CCCN(C)C1
Show InChI InChI=1S/C15H25N3O.C2H2O4/c1-3-4-5-6-7-10-14-16-15(19-17-14)13-9-8-11-18(2)12-13;3-1(4)2(5)6/h9H,3-8,10-12H2,1-2H3;(H,3,4)(H,5,6)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In Vitro binding affinity to the muscarinic acetylcholine receptor site in rat brain by using [3H]QNB as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229061
PNG
(CHEMBL162134)
Show SMILES OC(=O)C(O)=O.COCCc1noc(n1)C1=CCCN(C)C1
Show InChI InChI=1S/C11H17N3O2.C2H2O4/c1-14-6-3-4-9(8-14)11-12-10(13-16-11)5-7-15-2;3-1(4)2(5)6/h4H,3,5-8H2,1-2H3;(H,3,4)(H,5,6)
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n/an/a 144n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity to muscarinic acetylcholine receptor site in rat brain assayed using [3H]oxotremorine-M as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229062
PNG
(CHEMBL422538)
Show SMILES OC(=O)C(O)=O.COCc1noc(n1)C1=CCCN(C)C1
Show InChI InChI=1S/C10H15N3O2.C2H2O4/c1-13-5-3-4-8(6-13)10-11-9(7-14-2)12-15-10;3-1(4)2(5)6/h4H,3,5-7H2,1-2H3;(H,3,4)(H,5,6)
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n/an/a 44n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity to muscarinic acetylcholine receptor site in rat brain assayed using [3H]oxotremorine-M as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229063
PNG
(CHEMBL161189)
Show SMILES CCCCc1noc(n1)C1=CC(C)CNC1
Show InChI InChI=1S/C12H19N3O/c1-3-4-5-11-14-12(16-15-11)10-6-9(2)7-13-8-10/h6,9,13H,3-5,7-8H2,1-2H3
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n/an/a 685n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity to muscarinic acetylcholine receptor site in rat brain assayed using [3H]oxotremorine-M as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229062
PNG
(CHEMBL422538)
Show SMILES OC(=O)C(O)=O.COCc1noc(n1)C1=CCCN(C)C1
Show InChI InChI=1S/C10H15N3O2.C2H2O4/c1-13-5-3-4-8(6-13)10-11-9(7-14-2)12-15-10;3-1(4)2(5)6/h4H,3,5-7H2,1-2H3;(H,3,4)(H,5,6)
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n/an/a 6.69E+4n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In Vitro binding affinity to the muscarinic acetylcholine receptor site in rat brain by using [3H]QNB as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50229062
PNG
(CHEMBL422538)
Show SMILES OC(=O)C(O)=O.COCc1noc(n1)C1=CCCN(C)C1
Show InChI InChI=1S/C10H15N3O2.C2H2O4/c1-13-5-3-4-8(6-13)10-11-9(7-14-2)12-15-10;3-1(4)2(5)6/h4H,3,5-7H2,1-2H3;(H,3,4)(H,5,6)
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n/an/an/an/a 420n/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ileum.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229059
PNG
(CHEMBL159708)
Show SMILES CCCCc1noc(n1)C1=CCC(C)N(C)C1
Show InChI InChI=1S/C13H21N3O/c1-4-5-6-12-14-13(17-15-12)11-8-7-10(2)16(3)9-11/h8,10H,4-7,9H2,1-3H3
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n/an/a 1.02E+4n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In Vitro binding affinity to the muscarinic acetylcholine receptor site in rat brain by using [3H]QNB as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229060
PNG
(CHEMBL161007)
Show SMILES OC(=O)C(O)=O.CCCCCCCc1noc(n1)C1=CCCN(C)C1
Show InChI InChI=1S/C15H25N3O.C2H2O4/c1-3-4-5-6-7-10-14-16-15(19-17-14)13-9-8-11-18(2)12-13;3-1(4)2(5)6/h9H,3-8,10-12H2,1-2H3;(H,3,4)(H,5,6)
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n/an/a 28n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity to muscarinic acetylcholine receptor site in rat brain assayed using [3H]oxotremorine-M as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229063
PNG
(CHEMBL161189)
Show SMILES CCCCc1noc(n1)C1=CC(C)CNC1
Show InChI InChI=1S/C12H19N3O/c1-3-4-5-11-14-12(16-15-11)10-6-9(2)7-13-8-10/h6,9,13H,3-5,7-8H2,1-2H3
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n/an/a 6.43E+4n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In Vitro binding affinity to the muscarinic acetylcholine receptor site in rat brain by using [3H]QNB as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229061
PNG
(CHEMBL162134)
Show SMILES OC(=O)C(O)=O.COCCc1noc(n1)C1=CCCN(C)C1
Show InChI InChI=1S/C11H17N3O2.C2H2O4/c1-14-6-3-4-9(8-14)11-12-10(13-16-11)5-7-15-2;3-1(4)2(5)6/h4H,3,5-8H2,1-2H3;(H,3,4)(H,5,6)
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n/an/a 4.15E+4n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In Vitro binding affinity to the muscarinic acetylcholine receptor site in rat brain by using [3H]QNB as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50229061
PNG
(CHEMBL162134)
Show SMILES OC(=O)C(O)=O.COCCc1noc(n1)C1=CCCN(C)C1
Show InChI InChI=1S/C11H17N3O2.C2H2O4/c1-14-6-3-4-9(8-14)11-12-10(13-16-11)5-7-15-2;3-1(4)2(5)6/h4H,3,5-8H2,1-2H3;(H,3,4)(H,5,6)
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n/an/an/an/a 720n/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ileum.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229059
PNG
(CHEMBL159708)
Show SMILES CCCCc1noc(n1)C1=CCC(C)N(C)C1
Show InChI InChI=1S/C13H21N3O/c1-4-5-6-12-14-13(17-15-12)11-8-7-10(2)16(3)9-11/h8,10H,4-7,9H2,1-3H3
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n/an/a 145n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity to muscarinic acetylcholine receptor site in rat brain assayed using [3H]oxotremorine-M as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50229060
PNG
(CHEMBL161007)
Show SMILES OC(=O)C(O)=O.CCCCCCCc1noc(n1)C1=CCCN(C)C1
Show InChI InChI=1S/C15H25N3O.C2H2O4/c1-3-4-5-6-7-10-14-16-15(19-17-14)13-9-8-11-18(2)12-13;3-1(4)2(5)6/h9H,3-8,10-12H2,1-2H3;(H,3,4)(H,5,6)
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n/an/an/an/a 130n/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ileum.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50229063
PNG
(CHEMBL161189)
Show SMILES CCCCc1noc(n1)C1=CC(C)CNC1
Show InChI InChI=1S/C12H19N3O/c1-3-4-5-11-14-12(16-15-11)10-6-9(2)7-13-8-10/h6,9,13H,3-5,7-8H2,1-2H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ileum.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50229006
PNG
(CHEMBL322335)
Show SMILES OC(=O)C1Cc2c(CN1C(=O)CC(c1ccccc1)c1ccccc1)ncn2Cc1ccccc1
Show InChI InChI=1S/C29H27N3O3/c33-28(16-24(22-12-6-2-7-13-22)23-14-8-3-9-15-23)32-19-25-26(17-27(32)29(34)35)31(20-30-25)18-21-10-4-1-5-11-21/h1-15,20,24,27H,16-19H2,(H,34,35)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Warner Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor, from rat adrenal gland


J Med Chem 34: 3248-60 (1991)


Article DOI: 10.1021/jm00115a014
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50229007
PNG
(CHEMBL109710)
Show SMILES COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)\C=C/c2ccccc2)cc1C
Show InChI InChI=1S/C25H25N3O4/c1-17-12-19(8-10-23(17)32-2)14-27-16-26-20-15-28(22(25(30)31)13-21(20)27)24(29)11-9-18-6-4-3-5-7-18/h3-12,16,22H,13-15H2,1-2H3,(H,30,31)/b11-9-/t22-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Warner Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor, from rat adrenal gland


J Med Chem 34: 3248-60 (1991)


Article DOI: 10.1021/jm00115a014
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50229008
PNG
(CHEMBL109562)
Show SMILES COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C2(CCCCC2)c2ccccc2)cc1C
Show InChI InChI=1S/C29H33N3O4/c1-20-15-21(11-12-26(20)36-2)17-31-19-30-23-18-32(25(27(33)34)16-24(23)31)28(35)29(13-7-4-8-14-29)22-9-5-3-6-10-22/h3,5-6,9-12,15,19,25H,4,7-8,13-14,16-18H2,1-2H3,(H,33,34)/t25-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Warner Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor, from rat adrenal gland


J Med Chem 34: 3248-60 (1991)


Article DOI: 10.1021/jm00115a014
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50229035
PNG
(CHEMBL332941)
Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(=C)[C@H](O)C[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h10-11,15-17,22-23H,2,5-9,12H2,1,3-4H3/t15-,16-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding activity against THC cannabinoid receptor site, using 3H-CP-55940 as the radioligand


J Med Chem 34: 3310-6 (1991)


Article DOI: 10.1021/jm00115a023
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50229036
PNG
(CHEMBL323014)
Show SMILES CC(C)(C)NC(=O)C1CC2CCCCC2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C36H51N5O6/c1-36(2,3)40-34(45)30-19-26-16-10-11-17-27(26)21-41(30)22-31(42)28(18-24-12-6-4-7-13-24)38-33(44)29(20-32(37)43)39-35(46)47-23-25-14-8-5-9-15-25/h4-9,12-15,26-31,42H,10-11,16-23H2,1-3H3,(H2,37,43)(H,38,44)(H,39,46)(H,40,45)/t26?,27?,28-,29-,30?,31+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<2.70n/an/an/an/an/an/a



Roche Products Ltd.

Curated by ChEMBL


Assay Description
Binding activity against HIV-1 Protease


J Med Chem 34: 3340-2 (1991)


Article DOI: 10.1021/jm00115a028
BindingDB Entry DOI: 10.7270/Q2B858Q3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50229038
PNG
(CHEMBL345917)
Show SMILES COC(=O)c1cccc(c1)-n1c2ncccc2c(=O)n(CC2CC3CCC2C3)c1=O
Show InChI InChI=1S/C23H23N3O4/c1-30-22(28)16-4-2-5-18(12-16)26-20-19(6-3-9-24-20)21(27)25(23(26)29)13-17-11-14-7-8-15(17)10-14/h2-6,9,12,14-15,17H,7-8,10-11,13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram binding to Phosphodiesterase 4 in rat brain


J Med Chem 34: 624-8 (1991)


Article DOI: 10.1021/jm00106a024
More data for this
Ligand-Target Pair