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SMILES: Cc1sc(nc1CN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=GEOVAKZDNYBCAO-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50534180   
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 A2b


(Homo sapiens (Human))
BDBM50534180
PNG
(CHEMBL4470777)
Show SMILES Cc1sc(nc1CN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N6O2S/c1-12-15(26-19(34-12)13-4-6-14(7-5-13)22(23,24)25)10-30-8-9-31-16(11-30)27-18-17(31)20(32)29(3)21(33)28(18)2/h4-7H,8-11H2,1-3H3
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UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human A2B receptor expressed in CHO cell membrane


Bioorg Med Chem 24: 5462-5480 (2016)


Article DOI: 10.1016/j.bmc.2016.09.003
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50534180
PNG
(CHEMBL4470777)
Show SMILES Cc1sc(nc1CN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N6O2S/c1-12-15(26-19(34-12)13-4-6-14(7-5-13)22(23,24)25)10-30-8-9-31-16(11-30)27-18-17(31)20(32)29(3)21(33)28(18)2/h4-7H,8-11H2,1-3H3
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MMDB

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B.MOAD
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UniChem
Article
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX from A2A receptor in rat brain striatum membranes measured after 30 mins by liquid scintillation counting method


Bioorg Med Chem 24: 5462-5480 (2016)


Article DOI: 10.1016/j.bmc.2016.09.003
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50534180
PNG
(CHEMBL4470777)
Show SMILES Cc1sc(nc1CN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N6O2S/c1-12-15(26-19(34-12)13-4-6-14(7-5-13)22(23,24)25)10-30-8-9-31-16(11-30)27-18-17(31)20(32)29(3)21(33)28(18)2/h4-7H,8-11H2,1-3H3
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>1.50E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method


Bioorg Med Chem 24: 5462-5480 (2016)


Article DOI: 10.1016/j.bmc.2016.09.003
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50534180
PNG
(CHEMBL4470777)
Show SMILES Cc1sc(nc1CN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N6O2S/c1-12-15(26-19(34-12)13-4-6-14(7-5-13)22(23,24)25)10-30-8-9-31-16(11-30)27-18-17(31)20(32)29(3)21(33)28(18)2/h4-7H,8-11H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human A3 receptor expressed in CHO cell membrane by liquid scintillation counting method relative to control


Bioorg Med Chem 24: 5462-5480 (2016)


Article DOI: 10.1016/j.bmc.2016.09.003
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50534180
PNG
(CHEMBL4470777)
Show SMILES Cc1sc(nc1CN1CCn2c(C1)nc1n(C)c(=O)n(C)c(=O)c21)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N6O2S/c1-12-15(26-19(34-12)13-4-6-14(7-5-13)22(23,24)25)10-30-8-9-31-16(11-30)27-18-17(31)20(32)29(3)21(33)28(18)2/h4-7H,8-11H2,1-3H3
PDB

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antibodypedia
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 30 mins followed by addition of p-tyramine ...


Bioorg Med Chem 24: 5462-5480 (2016)


Article DOI: 10.1016/j.bmc.2016.09.003
More data for this
Ligand-Target Pair