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BDBM50210818 CHEMBL3937015

SMILES: O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1

InChI Key: InChIKey=ZQDPBVRIRZFYKQ-YHBQERECSA-N

Data: 2 KI  1 IC50  1 EC50

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 4 hits for monomerid = 50210818   
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 A1


(Homo sapiens (human))
BDBM50210818
PNG
(CHEMBL3937015)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C26H25N3O/c30-23-14-12-22(13-15-23)28-26-27-17-24(25(29-26)19-7-2-1-3-8-19)21-11-10-18-6-4-5-9-20(18)16-21/h1-11,16-17,22-23,30H,12-15H2,(H,27,28,29)/t22-,23-
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PC cid
PC sid
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Similars

Article
PubMed
7.70n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50210818
PNG
(CHEMBL3937015)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C26H25N3O/c30-23-14-12-22(13-15-23)28-26-27-17-24(25(29-26)19-7-2-1-3-8-19)21-11-10-18-6-4-5-9-20(18)16-21/h1-11,16-17,22-23,30H,12-15H2,(H,27,28,29)/t22-,23-
PDB
MMDB

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UniChem

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Article
PubMed
1.39E+3n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210818
PNG
(CHEMBL3937015)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C26H25N3O/c30-23-14-12-22(13-15-23)28-26-27-17-24(25(29-26)19-7-2-1-3-8-19)21-11-10-18-6-4-5-9-20(18)16-21/h1-11,16-17,22-23,30H,12-15H2,(H,27,28,29)/t22-,23-
PDB

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Article
PubMed
n/an/an/an/a 166n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human adenosine A1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50210818
PNG
(CHEMBL3937015)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C26H25N3O/c30-23-14-12-22(13-15-23)28-26-27-17-24(25(29-26)19-7-2-1-3-8-19)21-11-10-18-6-4-5-9-20(18)16-21/h1-11,16-17,22-23,30H,12-15H2,(H,27,28,29)/t22-,23-
NCI pathway
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UniChem

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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB603 from recombinant human adenosine A2B receptor expressed in HEK293 cell membranes after 1 hr by beta scintillation counting...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair