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BDBM50378796 CHEMBL1215544

SMILES: NC(=N)N1CCN(CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=HYVSDWLVUBTZRD-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 = 50378796   
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
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM50378796
PNG
(CHEMBL1215544)
Show SMILES NC(=N)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H15ClN4/c12-9-1-3-10(4-2-9)15-5-7-16(8-6-15)11(13)14/h1-4H,5-8H2,(H3,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 1.70E+4n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated-acidic mammalian chitinase


J Med Chem 53: 6122-8 (2010)

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


(Homo sapiens (Human))
BDBM50378796
PNG
(CHEMBL1215544)
Show SMILES NC(=N)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H15ClN4/c12-9-1-3-10(4-2-9)15-5-7-16(8-6-15)11(13)14/h1-4H,5-8H2,(H3,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of acidic mammalian chitinase after 60 mins


J Med Chem 53: 6122-8 (2010)

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