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BDBM50064626 CHEMBL3403734

SMILES: Cc1ccc(cc1)-c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O

InChI Key: InChIKey=LNDGSFJHLKTPJU-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50064626   
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 receptor A3


(Homo sapiens (Human))
BDBM50064626
PNG
(CHEMBL3403734)
Show SMILES Cc1ccc(cc1)-c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C26H24N4O2S2/c1-15-11-13-16(14-12-15)21-22(34-26(29-21)28-17-7-3-2-4-8-17)24(32)30-25-20(23(27)31)18-9-5-6-10-19(18)33-25/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H2,27,31)(H,28,29)(H,30,32)
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Article
PubMed
334n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50064626
PNG
(CHEMBL3403734)
Show SMILES Cc1ccc(cc1)-c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C26H24N4O2S2/c1-15-11-13-16(14-12-15)21-22(34-26(29-21)28-17-7-3-2-4-8-17)24(32)30-25-20(23(27)31)18-9-5-6-10-19(18)33-25/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H2,27,31)(H,28,29)(H,30,32)
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Article
PubMed
2.38E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50064626
PNG
(CHEMBL3403734)
Show SMILES Cc1ccc(cc1)-c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C26H24N4O2S2/c1-15-11-13-16(14-12-15)21-22(34-26(29-21)28-17-7-3-2-4-8-17)24(32)30-25-20(23(27)31)18-9-5-6-10-19(18)33-25/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H2,27,31)(H,28,29)(H,30,32)
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Article
PubMed
3.44E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.040
BindingDB Entry DOI: 10.7270/Q2QN68GJ
More data for this
Ligand-Target Pair