BindingDB logo
myBDB logout

BDBM50023493 CHEMBL266267::sec-Butyl-(9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-amine; compound with methanesulfonic acid

SMILES: CCC(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=RTSSDLWGRZSYAV-UHFFFAOYSA-N

Data: 2 IC50

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 = 50023493   
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 A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50023493
PNG
(CHEMBL266267 | sec-Butyl-(9-chloro-2-furan-2-yl-[1...)
Show SMILES CCC(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H16ClN5O/c1-3-10(2)19-17-20-13-7-6-11(18)9-12(13)16-21-15(22-23(16)17)14-5-4-8-24-14/h4-10H,3H2,1-2H3,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 158n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50023493
PNG
(CHEMBL266267 | sec-Butyl-(9-chloro-2-furan-2-yl-[1...)
Show SMILES CCC(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H16ClN5O/c1-3-10(2)19-17-20-13-7-6-11(18)9-12(13)16-21-15(22-23(16)17)14-5-4-8-24-14/h4-10H,3H2,1-2H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 61n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding towards adenosine A1 receptor using [3H]-N-cyclohexyladenosine ([3H]-CHA) in rat whole brain membranes.


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair