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BDBM50237772 CHEMBL4069499

SMILES: CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@H]3c3ccccc3)ncnc12

InChI Key: InChIKey=RYCMKNGQAIESMF-YHXNMJEVNA-N

Data: 3 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 3 hits for monomerid = 50237772   
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))
BDBM50237772
PNG
(CHEMBL4069499)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@H]3c3ccccc3)ncnc12
Show InChI InChI=1/C20H22N6O3Se/c1-21-19(29)16-14(27)15(28)20(30-16)26-9-24-13-17(22-8-23-18(13)26)25-12-7-11(12)10-5-3-2-4-6-10/h2-6,8-9,11-12,14-16,20,27-28H,7H2,1H3,(H,21,29)(H,22,23,25)/t11-,12+,14-,15+,16-,20+/s2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
3.90n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis


J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50237772
PNG
(CHEMBL4069499)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@H]3c3ccccc3)ncnc12
Show InChI InChI=1/C20H22N6O3Se/c1-21-19(29)16-14(27)15(28)20(30-16)26-9-24-13-17(22-8-23-18(13)26)25-12-7-11(12)10-5-3-2-4-6-10/h2-6,8-9,11-12,14-16,20,27-28H,7H2,1H3,(H,21,29)(H,22,23,25)/t11-,12+,14-,15+,16-,20+/s2
PDB

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UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
420n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PLA from human adenosine A1 receptor expressed in CHO cells after 60 mins by liquid scintillation analyzer


J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50237772
PNG
(CHEMBL4069499)
Show SMILES CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@H]3c3ccccc3)ncnc12
Show InChI InChI=1/C20H22N6O3Se/c1-21-19(29)16-14(27)15(28)20(30-16)26-9-24-13-17(22-8-23-18(13)26)25-12-7-11(12)10-5-3-2-4-6-10/h2-6,8-9,11-12,14-16,20,27-28H,7H2,1H3,(H,21,29)(H,22,23,25)/t11-,12+,14-,15+,16-,20+/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.48E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation analyzer


J Med Chem 60: 3422-3437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00241
BindingDB Entry DOI: 10.7270/Q2J105FT
More data for this
Ligand-Target Pair