BDBM99200 US8501708, 20

SMILES CC(C)c1ccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1

InChI Key InChIKey=HEHPEMPIIGZAPY-FNAJLOLUSA-N

Data  3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 99200   

TargetAdenosine receptor A1(Oryctolagus cuniculus (Rabbit))
Inotek Pharmaceuticals Corporation

US Patent
LigandPNGBDBM99200(US8501708, 20)
Show SMILES CC(C)c1ccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C25H33N5O5/c1-14(2)16-8-6-15(7-9-16)11-34-18-5-3-4-17(18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(33)21(32)19(10-31)35-25/h6-9,12-14,17-19,21-22,25,31-33H,3-5,10-11H2,1-2H3,(H,26,27,29)/t17?,18-,19+,21+,22+,25?/m0/s1
Affinity DataKi:  14.4nMAssay Description:The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.More data for this Ligand-Target Pair
TargetAdenosine receptor A3(Oryctolagus cuniculus (rabbit))
Inotek Pharmaceuticals Corporation

US Patent
LigandPNGBDBM99200(US8501708, 20)
Show SMILES CC(C)c1ccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C25H33N5O5/c1-14(2)16-8-6-15(7-9-16)11-34-18-5-3-4-17(18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(33)21(32)19(10-31)35-25/h6-9,12-14,17-19,21-22,25,31-33H,3-5,10-11H2,1-2H3,(H,26,27,29)/t17?,18-,19+,21+,22+,25?/m0/s1
Affinity DataKi:  1.87E+3nMAssay Description:The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.More data for this Ligand-Target Pair
TargetAdenosine receptor A2(Oryctolagus cuniculus (rabbit))
Inotek Pharmaceuticals Corporation

US Patent
LigandPNGBDBM99200(US8501708, 20)
Show SMILES CC(C)c1ccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C25H33N5O5/c1-14(2)16-8-6-15(7-9-16)11-34-18-5-3-4-17(18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(33)21(32)19(10-31)35-25/h6-9,12-14,17-19,21-22,25,31-33H,3-5,10-11H2,1-2H3,(H,26,27,29)/t17?,18-,19+,21+,22+,25?/m0/s1
Affinity DataKi:  1.14E+4nMAssay Description:The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.More data for this Ligand-Target Pair