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BDBM50068215 CHEMBL3403314

SMILES: CCN(CC)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C

InChI Key: InChIKey=YJGNWSYDXOZQKI-ZIUUJSQJSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50068215   
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
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50068215
PNG
(CHEMBL3403314)
Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r|
Show InChI InChI=1S/C34H53BrN6O7/c1-8-40(9-2)33(46)27(18-23-12-14-24(35)15-13-23)38-31(44)26(17-20(3)4)37-32(45)29(21(5)6)39-30(43)25(36)19-48-34(47)28-11-10-16-41(28)22(7)42/h12-15,20-21,25-29H,8-11,16-19,36H2,1-7H3,(H,37,45)(H,38,44)(H,39,43)/t25-,26-,27-,28-,29-/m0/s1
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Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Hebei University of Science& Technology

Curated by ChEMBL


Assay Description
Inhibition of MAGL (unknown origin)


Bioorg Med Chem 23: 2562-7 (2015)


Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50068215
PNG
(CHEMBL3403314)
Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r|
Show InChI InChI=1S/C34H53BrN6O7/c1-8-40(9-2)33(46)27(18-23-12-14-24(35)15-13-23)38-31(44)26(17-20(3)4)37-32(45)29(21(5)6)39-30(43)25(36)19-48-34(47)28-11-10-16-41(28)22(7)42/h12-15,20-21,25-29H,8-11,16-19,36H2,1-7H3,(H,37,45)(H,38,44)(H,39,43)/t25-,26-,27-,28-,29-/m0/s1
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Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Hebei University of Science& Technology

Curated by ChEMBL


Assay Description
Inhibition of AchE (unknown origin)


Bioorg Med Chem 23: 2562-7 (2015)


Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50068215
PNG
(CHEMBL3403314)
Show SMILES CCN(CC)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r|
Show InChI InChI=1S/C34H53BrN6O7/c1-8-40(9-2)33(46)27(18-23-12-14-24(35)15-13-23)38-31(44)26(17-20(3)4)37-32(45)29(21(5)6)39-30(43)25(36)19-48-34(47)28-11-10-16-41(28)22(7)42/h12-15,20-21,25-29H,8-11,16-19,36H2,1-7H3,(H,37,45)(H,38,44)(H,39,43)/t25-,26-,27-,28-,29-/m0/s1
PDB
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Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Hebei University of Science& Technology

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B (unknown origin)


Bioorg Med Chem 23: 2562-7 (2015)


Article DOI: 10.1016/j.bmc.2015.03.035
BindingDB Entry DOI: 10.7270/Q21N82T3
More data for this
Ligand-Target Pair