BindingDB logo
myBDB logout

null

SMILES: OCC1CCC(O1)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12

InChI Key: InChIKey=GXUKERFUHADYJZ-UHFFFAOYSA-N

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 1 hit for monomerid = 50031294   
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
Adenosine deaminase


(Bos taurus (bovine))		BDBM50031294
PNG
(CHEMBL128405 | [5-(5-Chloro-7-cycloheptylamino-imi...)
Show SMILES OCC1CCC(O1)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12
Show InChI InChI=1S/C18H25ClN4O2/c19-15-9-14(21-12-5-3-1-2-4-6-12)17-18(22-15)23(11-20-17)16-8-7-13(10-24)25-16/h9,11-13,16,24H,1-8,10H2,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase

J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair