BDBM50163020 (1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::(1S,2R,3S,4R,5S)-4-[2-Chloro-6-(3-chloro-benzylamino)-purin-9-yl]-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide::1N-methyl-4-[2-chloro-6-(3-chlorobenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL175543

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

InChI Key: InChIKey=GAYWHRPOIWFKIF-UHFFFAOYSA-N

Data: 21 KI  1 IC50

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 22 hits for monomerid = 50163020   

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
5-hydroxytryptamine receptor 2B (Human)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.26E+3	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 A3 (Human)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		0.290	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 A3 (Human)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		0.290	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 A3 (Human)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		0.290	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 A3 (Human)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		0.290	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 A3 (Human)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		0.290	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 A3 (Rat)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		1	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 A3 (Rat)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		1	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 A3 (Rat)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		1	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 A3 (Mouse)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		1.5	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)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		15	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)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		260	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)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		260	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)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		260	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)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		260	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)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		260	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)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		2.30E+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)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		2.30E+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)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		2.30E+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)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		2.30E+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)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		2.30E+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)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		1.04E+4	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