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5 similar compounds to monomer 50221006

Compile data set for download or QSAR
Wt: 318.4
BDBM50220982
Wt: 293.3
BDBM50220998
Wt: 418.3
BDBM50221016
Wt: 303.1
BDBM50221034
Wt: 252.7
BDBM50221042

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50220982,50220998,50221016,50221034,50221042   
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)
BDBM50220998
PNG
(CHEMBL76382)
Show SMILES COc1ccc(\C=N\N=C(\N)S)cc1OC1CCCC1
Show InChI InChI=1S/C14H19N3O2S/c1-18-12-7-6-10(9-16-17-14(15)20)8-13(12)19-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H3,15,17,20)/b16-9+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
0.0460n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00405-0
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220982
PNG
(CHEMBL65311)
Show SMILES C(CN1CCCC1)C#Cc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C22H26N2/c1-2-11-19-18(10-6-7-15-24-16-8-9-17-24)20-12-4-5-14-22(20)23-21(19)13-3-1/h4-5,12,14H,1-3,7-9,11,13,15-17H2
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PC sid
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Article
PubMed
214n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human H3L receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00356-1
BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220982
PNG
(CHEMBL65311)
Show SMILES C(CN1CCCC1)C#Cc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C22H26N2/c1-2-11-19-18(10-6-7-15-24-16-8-9-17-24)20-12-4-5-14-22(20)23-21(19)13-3-1/h4-5,12,14H,1-3,7-9,11,13,15-17H2
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Article
PubMed
646n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00356-1
BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221042
PNG
(CHEMBL83515)
Show SMILES Oc1c2CSCc2nn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H9ClN2OS/c12-7-1-3-8(4-2-7)14-11(15)9-5-16-6-10(9)13-14/h1-4,15H,5-6H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 8.30E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220998
PNG
(CHEMBL76382)
Show SMILES COc1ccc(\C=N\N=C(\N)S)cc1OC1CCCC1
Show InChI InChI=1S/C14H19N3O2S/c1-18-12-7-6-10(9-16-17-14(15)20)8-13(12)19-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H3,15,17,20)/b16-9+
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Inhibitory activity against purified rat liver phosphodiesterase 4


Bioorg Med Chem Lett 13: 2355-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00405-0
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50221016
PNG
(CHEMBL79744)
Show SMILES COc1cc2c(C)nnc(Cc3c(Cl)cncc3Cl)c2cc1OC1CCCC1
Show InChI InChI=1S/C21H21Cl2N3O2/c1-12-14-8-20(27-2)21(28-13-5-3-4-6-13)9-15(14)19(26-25-12)7-16-17(22)10-24-11-18(16)23/h8-11,13H,3-7H2,1-2H3
PDB
MMDB

KEGG

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Article
PubMed
n/an/a 146n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phosphodiesterase 4.


Bioorg Med Chem Lett 13: 2473-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00493-1
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50221016
PNG
(CHEMBL79744)
Show SMILES COc1cc2c(C)nnc(Cc3c(Cl)cncc3Cl)c2cc1OC1CCCC1
Show InChI InChI=1S/C21H21Cl2N3O2/c1-12-14-8-20(27-2)21(28-13-5-3-4-6-13)9-15(14)19(26-25-12)7-16-17(22)10-24-11-18(16)23/h8-11,13H,3-7H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 145n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 4.


Bioorg Med Chem Lett 13: 2473-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00493-1
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221034
PNG
(CHEMBL87428)
Show SMILES Oc1c2[S+]([O-])CCc2nn1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H8Cl2N2O2S/c12-7-2-1-6(5-8(7)13)15-11(16)10-9(14-15)3-4-18(10)17/h1-2,5,16H,3-4H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.59E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair