BDBM50011294 A2A::Ro-4494351::Ro-4494351-002::Ro-4494351000::SYN-115::TOZADENANT

SMILES: CC1(CCN(CC1)C(=O)Nc2nc3c(ccc(c3s2)N4CCOCC4)OC)O

InChI Key: InChIKey=XNBRWUQWSKXMPW-UHFFFAOYSA-N

Data: 21 KI

PDB links: 1 PDB ID matches this monomer.

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 21 hits for monomerid = 50011294   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2a (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Rat)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2b (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2b (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Adenosine receptor A1 (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		3.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Adenosine receptor A2b (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM50011294 (Ro-4494351-002 | Ro-4494351 | SYN-115 | Ro-4494351...) Show SMILES Show InChI	GoogleScholar	UniChem		5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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