BDBM50163025 (1S,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-[6-(3-bromobenzylamino)-2-chloro-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL425741

SMILES: CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12

InChI Key: InChIKey=HYFDTLBXWNFVQO-UHFFFAOYSA-N

Data: 11 KI

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 11 hits for monomerid = 50163025   

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 A3 (Human)	BDBM50163025 ((1S,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chlor...) Show SMILES Show InChI	GoogleScholar	UniChem		0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM50163025 ((1S,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chlor...) Show SMILES Show InChI	GoogleScholar	UniChem		0.380	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 A3 (Rat)	BDBM50163025 ((1S,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chlor...) Show SMILES Show InChI	GoogleScholar	UniChem		0.760	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 A3 (Rat)	BDBM50163025 ((1S,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chlor...) Show SMILES Show InChI	GoogleScholar	UniChem		0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Mouse)	BDBM50163025 ((1S,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chlor...) Show SMILES Show InChI	GoogleScholar	UniChem		0.900	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 (Mouse)	BDBM50163025 ((1S,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chlor...) Show SMILES Show InChI	GoogleScholar	UniChem		8.80	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)	BDBM50163025 ((1S,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chlor...) Show SMILES Show InChI	GoogleScholar	UniChem		270	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)	BDBM50163025 ((1S,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chlor...) Show SMILES Show InChI	GoogleScholar	UniChem		270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50163025 ((1S,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chlor...) Show SMILES Show InChI	GoogleScholar	UniChem		1.30E+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 A2a (Human)	BDBM50163025 ((1S,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chlor...) Show SMILES Show InChI	GoogleScholar	UniChem		1.30E+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 A2a (Mouse)	BDBM50163025 ((1S,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chlor...) Show SMILES Show InChI	GoogleScholar	UniChem		6.39E+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