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BDBM68281 Bengamide A

SMILES: CCCCCCCCCCCCCOC(=O)C1CCC(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1

InChI Key: InChIKey=YMUIDHXTYPAEPJ-UDURVLGBSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 68281   
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
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM68281
PNG
(Bengamide A)
Show SMILES CCCCCCCCCCCCCOC(=O)C1CCC(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1 |r|
Show InChI InChI=1S/C31H56N2O8/c1-5-6-7-8-9-10-11-12-13-14-15-20-41-31(39)23-17-18-24(29(37)32-21-23)33-30(38)28(40-4)27(36)26(35)25(34)19-16-22(2)3/h16,19,22-28,34-36H,5-15,17-18,20-21H2,1-4H3,(H,32,37)(H,33,38)/b19-16+/t23?,24?,25-,26+,27-,28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



The Johns Hopkins University



Assay Description
The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.


Chem Biol 14: 764-74 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.010
BindingDB Entry DOI: 10.7270/Q2NC5ZN9
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (Human))
BDBM68281
PNG
(Bengamide A)
Show SMILES CCCCCCCCCCCCCOC(=O)C1CCC(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1 |r|
Show InChI InChI=1S/C31H56N2O8/c1-5-6-7-8-9-10-11-12-13-14-15-20-41-31(39)23-17-18-24(29(37)32-21-23)33-30(38)28(40-4)27(36)26(35)25(34)19-16-22(2)3/h16,19,22-28,34-36H,5-15,17-18,20-21H2,1-4H3,(H,32,37)(H,33,38)/b19-16+/t23?,24?,25-,26+,27-,28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



The Johns Hopkins University



Assay Description
The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.


Chem Biol 14: 764-74 (2007)


Article DOI: 10.1016/j.chembiol.2007.05.010
BindingDB Entry DOI: 10.7270/Q2NC5ZN9
More data for this
Ligand-Target Pair