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BDBM191865 US9187428, 93

SMILES: CNC(=O)c1cc(COc2nc(N3CC(O)C3)c(C#N)c(-c3ccccc3)c2C#N)ccn1

InChI Key: InChIKey=RIKWPWBAAMITPO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 191865   
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))
BDBM191865
PNG
(US9187428, 93)
Show SMILES CNC(=O)c1cc(COc2nc(N3CC(O)C3)c(C#N)c(-c3ccccc3)c2C#N)ccn1
Show InChI InChI=1S/C24H20N6O3/c1-27-23(32)20-9-15(7-8-28-20)14-33-24-19(11-26)21(16-5-3-2-4-6-16)18(10-25)22(29-24)30-12-17(31)13-30/h2-9,17,31H,12-14H2,1H3,(H,27,32)
PDB

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UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
n/an/an/an/a 0.900n/an/an/an/a



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))
BDBM191865
PNG
(US9187428, 93)
Show SMILES CNC(=O)c1cc(COc2nc(N3CC(O)C3)c(C#N)c(-c3ccccc3)c2C#N)ccn1
Show InChI InChI=1S/C24H20N6O3/c1-27-23(32)20-9-15(7-8-28-20)14-33-24-19(11-26)21(16-5-3-2-4-6-16)18(10-25)22(29-24)30-12-17(31)13-30/h2-9,17,31H,12-14H2,1H3,(H,27,32)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 3.00E+3n/an/an/an/a



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 A2a


(Homo sapiens (human))
BDBM191865
PNG
(US9187428, 93)
Show SMILES CNC(=O)c1cc(COc2nc(N3CC(O)C3)c(C#N)c(-c3ccccc3)c2C#N)ccn1
Show InChI InChI=1S/C24H20N6O3/c1-27-23(32)20-9-15(7-8-28-20)14-33-24-19(11-26)21(16-5-3-2-4-6-16)18(10-25)22(29-24)30-12-17(31)13-30/h2-9,17,31H,12-14H2,1H3,(H,27,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 3.00E+3n/an/an/an/a



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