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BDBM31879 3-indolepropionic acid::Acid, 7

SMILES: OC(=O)CCc1c[nH]c2ccccc12

InChI Key: InChIKey=GOLXRNDWAUTYKT-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 5 PDB IDs match this monomer. 10 PDB IDs contain this monomer as substructures. 10 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 31879   
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
HIV-1 protease


(Human immunodeficiency virus)
BDBM31879
PNG
(3-indolepropionic acid | Acid, 7)
Show SMILES OC(=O)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
PDB
MMDB

UniProtKB/TrEMBL

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DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
n/an/a 10n/an/an/an/a5.637



The Scripps Research Institute



Assay Description
Inhibition of HIV-protease activity for selected acids at P3-P3' positions.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM31879
PNG
(3-indolepropionic acid | Acid, 7)
Show SMILES OC(=O)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40E+5n/an/an/an/a7.538



Virginia Tech



Assay Description
A typical reaction mixture contains kynurenine, alpha-ketobutyrate, PLP and hKAT-I in the presence of test compound. The reaction mixture was incubat...


J Med Chem 52: 2786-93 (2009)

More data for this
Ligand-Target Pair