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BDBM36503 (S)-1-((Benzyloxy)carbonyl)indoline-2-carboxylic acid, 4::CID6932064

SMILES: OC(=O)[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1

InChI Key: InChIKey=BSOYWTITVKXHLM-HNNXBMFYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches 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 = 36503   
Target
(Institution)
LigandTarget
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
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM36503
PNG
((S)-1-((Benzyloxy)carbonyl)indoline-2-carboxylic a...)
Show SMILES OC(=O)[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1
Show InChI InChI=1S/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)/t15-/m0/s1
PDB
MMDB

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PC sid
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AffyNet 
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PDB
Article
PubMed
n/an/a>5.00E+8n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Inhibition of FPPS (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM36503
PNG
((S)-1-((Benzyloxy)carbonyl)indoline-2-carboxylic a...)
Show SMILES OC(=O)[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1
Show InChI InChI=1S/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)/t15-/m0/s1
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a>5.00E+5n/an/an/an/a7.423



Novartis Institutes for Biomedical Research



Assay Description
A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)