BDBM50281138 (2R,3R,4S,5R)-2-[2-Chloro-6-(morpholin-4-ylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL313306

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCOCC3)nc(Cl)nc12

InChI Key: InChIKey=SNTVGVURAAEEMQ-QYVSTXNMSA-N

Data: 5 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 5 hits for monomerid = 50281138   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50281138 ((2R,3R,4S,5R)-2-[2-Chloro-6-(morpholin-4-ylamino)-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCOCC3)nc(Cl)nc12 Show InChI InChI=1S/C14H19ClN6O5/c15-14-17-11(19-20-1-3-25-4-2-20)8-12(18-14)21(6-16-8)13-10(24)9(23)7(5-22)26-13/h6-7,9-10,13,22-24H,1-5H2,(H,17,18,19)/t7-,9-,10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H](R)-PIA displacement.				Bioorg Med Chem Lett 7: 3085-3090 (1997) Article DOI: 10.1016/S0960-894X(97)10177-9 BindingDB Entry DOI: 10.7270/Q2SQ90W2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50281138 ((2R,3R,4S,5R)-2-[2-Chloro-6-(morpholin-4-ylamino)-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCOCC3)nc(Cl)nc12 Show InChI InChI=1S/C14H19ClN6O5/c15-14-17-11(19-20-1-3-25-4-2-20)8-12(18-14)21(6-16-8)13-10(24)9(23)7(5-22)26-13/h6-7,9-10,13,22-24H,1-5H2,(H,17,18,19)/t7-,9-,10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor				Bioorg Med Chem Lett 7: 3085-3090 (1997) Article DOI: 10.1016/S0960-894X(97)10177-9 BindingDB Entry DOI: 10.7270/Q2SQ90W2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50281138 ((2R,3R,4S,5R)-2-[2-Chloro-6-(morpholin-4-ylamino)-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCOCC3)nc(Cl)nc12 Show InChI InChI=1S/C14H19ClN6O5/c15-14-17-11(19-20-1-3-25-4-2-20)8-12(18-14)21(6-16-8)13-10(24)9(23)7(5-22)26-13/h6-7,9-10,13,22-24H,1-5H2,(H,17,18,19)/t7-,9-,10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A1 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50281138 ((2R,3R,4S,5R)-2-[2-Chloro-6-(morpholin-4-ylamino)-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCOCC3)nc(Cl)nc12 Show InChI InChI=1S/C14H19ClN6O5/c15-14-17-11(19-20-1-3-25-4-2-20)8-12(18-14)21(6-16-8)13-10(24)9(23)7(5-22)26-13/h6-7,9-10,13,22-24H,1-5H2,(H,17,18,19)/t7-,9-,10-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of adenosine A2 receptor binding to rat brain				Bioorg Med Chem Lett 3: 2661-2666 (1993) Article DOI: 10.1016/S0960-894X(01)80737-X BindingDB Entry DOI: 10.7270/Q2MC8ZXQ
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50281138 ((2R,3R,4S,5R)-2-[2-Chloro-6-(morpholin-4-ylamino)-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCOCC3)nc(Cl)nc12 Show InChI InChI=1S/C14H19ClN6O5/c15-14-17-11(19-20-1-3-25-4-2-20)8-12(18-14)21(6-16-8)13-10(24)9(23)7(5-22)26-13/h6-7,9-10,13,22-24H,1-5H2,(H,17,18,19)/t7-,9-,10-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2 receptor of rat striatal membranes				Bioorg Med Chem Lett 7: 3085-3090 (1997) Article DOI: 10.1016/S0960-894X(97)10177-9 BindingDB Entry DOI: 10.7270/Q2SQ90W2
					More data for this Ligand-Target Pair