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5 similar compounds to monomer 50230440

Compile data set for download or QSAR
Wt: 289.3
BDBM50220813
Wt: 334.3
BDBM50220818
Wt: 373.4
BDBM50220829
Wt: 326.3
BDBM50230436
Wt: 334.4
BDBM50230441

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50220813,50220818,50220829,50230436,50230441   
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
Tryptase


(Homo sapiens (Human))
BDBM50220829
PNG
(CHEMBL307089)
Show SMILES NC(=N)N1CCC(C[C@@H]2[C@H](N(C(=O)Nc3ccccc3)C2=O)C(O)=O)CC1
Show InChI InChI=1S/C18H23N5O4/c19-17(20)22-8-6-11(7-9-22)10-13-14(16(25)26)23(15(13)24)18(27)21-12-4-2-1-3-5-12/h1-5,11,13-14H,6-10H2,(H3,19,20)(H,21,27)(H,25,26)/t13-,14+/m1/s1
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n/an/a 515n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human tryptase was determined


Bioorg Med Chem Lett 14: 2227-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.011
BindingDB Entry DOI: 10.7270/Q2GM86Q3
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230436
PNG
(CHEMBL424372)
Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C19H19FN2O2/c1-2-3-8-18-21-16-6-4-5-7-17(16)22(18)12-14-10-9-13(19(23)24)11-15(14)20/h4-7,9-11H,2-3,8,12H2,1H3,(H,23,24)
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n/an/a 860n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50220818
PNG
(CHEMBL56344)
Show SMILES COc1ccc2oc(cc2c1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C17H22N2O5/c1-23-13-7-8-14-12(10-13)11-15(24-14)17(21)18-9-5-3-2-4-6-16(20)19-22/h7-8,10-11,22H,2-6,9H2,1H3,(H,18,21)(H,19,20)
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
BindingDB Entry DOI: 10.7270/Q2NC63D6
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50220813
PNG
(CHEMBL53455)
Show SMILES ONC(=O)CCCCCNC(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C15H19N3O3/c19-14(18-21)7-2-1-3-9-17-15(20)12-5-4-6-13-11(12)8-10-16-13/h4-6,8,10,16,21H,1-3,7,9H2,(H,17,20)(H,18,19)
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n/an/a 88n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
BindingDB Entry DOI: 10.7270/Q2NC63D6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230441
PNG
(CHEMBL171681)
Show SMILES CCCCc1nccn1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C21H22N2O2/c1-2-3-8-20-22-13-14-23(20)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)21(24)25/h4-7,9-14H,2-3,8,15H2,1H3,(H,24,25)
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n/an/a 9.40E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Concentration required for 50% displacement of the specifically bound [3-[125I]-iodotyrosyl]-angiotensin II from angiotensin II receptor in the membr...


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair