BindingDB logo
myBDB logout

BDBM39302 CHEMBL228792::MLS000101228::N-(2-furanylmethyl)-7H-purin-6-amine::N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE::N-(furan-2-ylmethyl)-9H-purin-6-amine::SMR000017633::cid_3830::kinetin

SMILES: C(Nc1ncnc2nc[nH]c12)c1ccco1

InChI Key: InChIKey=QANMHLXAZMSUEX-UHFFFAOYSA-N

Data: 1 KI  3 IC50

PDB links: 7 PDB IDs match 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 4 hits for monomerid = 39302   
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
Endochitinase


(Saccharomyces cerevisiae)
BDBM39302
PNG
(CHEMBL228792 | MLS000101228 | N-(2-furanylmethyl)-...)
Show SMILES C(Nc1ncnc2nc[nH]c12)c1ccco1
Show InChI InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
3.20E+3n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae CTS1


Bioorg Med Chem 18: 8334-40 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM39302
PNG
(CHEMBL228792 | MLS000101228 | N-(2-furanylmethyl)-...)
Show SMILES C(Nc1ncnc2nc[nH]c12)c1ccco1
Show InChI InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human chitinase


Bioorg Med Chem 18: 8334-40 (2010)

More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM39302
PNG
(CHEMBL228792 | MLS000101228 | N-(2-furanylmethyl)-...)
Show SMILES C(Nc1ncnc2nc[nH]c12)c1ccco1
Show InChI InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PCBioAssay
n/an/a 2.14E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


Citation and Details
More data for this
Ligand-Target Pair
Chitinase (chiA1)


(Neosartorya fumigata (Aspergillus fumigatus))
BDBM39302
PNG
(CHEMBL228792 | MLS000101228 | N-(2-furanylmethyl)-...)
Show SMILES C(Nc1ncnc2nc[nH]c12)c1ccco1
Show InChI InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus fumigatus ChiA1 expressed in Pichia pastoris after 70 mins


Bioorg Med Chem 18: 8334-40 (2010)

More data for this
Ligand-Target Pair