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1 similar compounds to monomer 191810

Compile data set for download or QSAR
Wt: 453.5
BDBM191809

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 191809   
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))
BDBM191809
PNG
(US9187428, 37)
Show SMILES CS(=O)(=O)Nc1cccc(CSc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)c1
Show InChI InChI=1S/C21H16FN5O2S2/c1-31(28,29)27-16-4-2-3-13(9-16)12-30-21-18(11-24)19(17(10-23)20(25)26-21)14-5-7-15(22)8-6-14/h2-9,27H,12H2,1H3,(H2,25,26)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 0.700n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191809
PNG
(US9187428, 37)
Show SMILES CS(=O)(=O)Nc1cccc(CSc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)c1
Show InChI InChI=1S/C21H16FN5O2S2/c1-31(28,29)27-16-4-2-3-13(9-16)12-30-21-18(11-24)19(17(10-23)20(25)26-21)14-5-7-15(22)8-6-14/h2-9,27H,12H2,1H3,(H2,25,26)
NCI pathway
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 3.00E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM191809
PNG
(US9187428, 37)
Show SMILES CS(=O)(=O)Nc1cccc(CSc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)c1
Show InChI InChI=1S/C21H16FN5O2S2/c1-31(28,29)27-16-4-2-3-13(9-16)12-30-21-18(11-24)19(17(10-23)20(25)26-21)14-5-7-15(22)8-6-14/h2-9,27H,12H2,1H3,(H2,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 1.78E+3n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair