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BDBM50422343 CHEMBL2310914

SMILES: CCCc1ccccc1CC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=RKYYMHCMYCWTGP-XJKSGUPXSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50422343   
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))
BDBM50422343
PNG
(CHEMBL2310914)
Show SMILES CCCc1ccccc1CC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C19H25N5O/c1-3-6-14-7-4-5-8-15(14)9-10-16(13(2)25)24-12-23-17-18(20)21-11-22-19(17)24/h4-5,7-8,11-13,16,25H,3,6,9-10H2,1-2H3,(H2,20,21,22)/t13-,16+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
302n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of Adenosine deaminase (ADA) of calf intestine


J Med Chem 43: 4694-700 (2001)


Article DOI: 10.1021/jm0002533
BindingDB Entry DOI: 10.7270/Q2KD1ZM2
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50422343
PNG
(CHEMBL2310914)
Show SMILES CCCc1ccccc1CC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C19H25N5O/c1-3-6-14-7-4-5-8-15(14)9-10-16(13(2)25)24-12-23-17-18(20)21-11-22-19(17)24/h4-5,7-8,11-13,16,25H,3,6,9-10H2,1-2H3,(H2,20,21,22)/t13-,16+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
302n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)


Bioorg Med Chem Lett 8: 1639-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00291-1
BindingDB Entry DOI: 10.7270/Q2M044JJ
More data for this
Ligand-Target Pair