BDBM99196 US8501708, 16

SMILES Cc1cccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1

InChI Key InChIKey=UAVGEMJRCCWMEI-UNYIAIFGSA-N

Data  3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 99196   

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

US Patent
LigandPNGBDBM99196(US8501708, 16)
Show SMILES Cc1cccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C23H29N5O5/c1-13-4-2-5-14(8-13)10-32-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1
Affinity DataKi:  1.36E+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 A3(Oryctolagus cuniculus (rabbit))
Inotek Pharmaceuticals Corporation

US Patent
LigandPNGBDBM99196(US8501708, 16)
Show SMILES Cc1cccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C23H29N5O5/c1-13-4-2-5-14(8-13)10-32-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1
Affinity DataKi: >1.00E+5nMAssay 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
LigandPNGBDBM99196(US8501708, 16)
Show SMILES Cc1cccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C23H29N5O5/c1-13-4-2-5-14(8-13)10-32-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1
Affinity DataKi: >1.00E+5nMAssay 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