BindingDB logo
myBDB logout

null

SMILES: CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)NC1CCCCC1

InChI Key: InChIKey=MZLLRNJSSPQALL-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 2 hits for monomerid = 50087403   
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
AMP deaminase 3


(Homo sapiens (Human))
BDBM50087403
PNG
(2-Cyclohexylcarbamoyl-6-(8-hydroxy-7,8-dihydro-6H-...)
Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)NC1CCCCC1 |c:14|
Show InChI InChI=1S/C20H31N5O4/c1-20(19(28)29,18(27)24-14-7-3-2-4-8-14)9-5-6-10-25-13-23-16-15(26)11-21-12-22-17(16)25/h12-15,26H,2-11H2,1H3,(H,21,22)(H,24,27)(H,28,29)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
5.20E+3n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine heart or recombinant human E-type AMPDA


J Med Chem 43: 1519-24 (2000)


BindingDB Entry DOI: 10.7270/Q2PK0FC0
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087403
PNG
(2-Cyclohexylcarbamoyl-6-(8-hydroxy-7,8-dihydro-6H-...)
Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)NC1CCCCC1 |c:14|
Show InChI InChI=1S/C20H31N5O4/c1-20(19(28)29,18(27)24-14-7-3-2-4-8-14)9-5-6-10-25-13-23-16-15(26)11-21-12-22-17(16)25/h12-15,26H,2-11H2,1H3,(H,21,22)(H,24,27)(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
>7.50E+3n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1519-24 (2000)


BindingDB Entry DOI: 10.7270/Q2PK0FC0
More data for this
Ligand-Target Pair