BDBM50179180 (1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::CHEMBL331291

SMILES: CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12

InChI Key: InChIKey=ZXPDGTGMZKIESV-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 13 hits for monomerid = 50179180   

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 A1 (Mouse)	BDBM50179180 ((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Mouse)	BDBM50179180 ((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...) Show SMILES Show InChI	GoogleScholar	UniChem		3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM50179180 ((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...) Show SMILES Show InChI	GoogleScholar	UniChem		3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Human)	BDBM50179180 ((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...) Show SMILES Show InChI	GoogleScholar	UniChem		3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A3 (Rat)	BDBM50179180 ((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...) Show SMILES Show InChI	GoogleScholar	UniChem		5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 2B (Human)	BDBM50179180 ((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...) Show SMILES Show InChI	GoogleScholar	UniChem		12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Human)	BDBM50179180 ((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...) Show SMILES Show InChI	GoogleScholar	UniChem		18	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)	BDBM50179180 ((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...) Show SMILES Show InChI	GoogleScholar	UniChem		18	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)	BDBM50179180 ((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...) Show SMILES Show InChI	GoogleScholar	UniChem		18.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 2B (Human)	BDBM50179180 ((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...) Show SMILES Show InChI	GoogleScholar	UniChem		78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Sigma intracellular receptor 2 (Human)	BDBM50179180 ((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Human)	BDBM50179180 ((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...) Show SMILES Show InChI	GoogleScholar	UniChem		3.25E+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 A2a (Human)	BDBM50179180 ((1S,2R,3S,4R,5S)-4-(2-chloro-6-(cyclopentylamino)-...) Show SMILES Show InChI	GoogleScholar	UniChem		3.25E+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