BDBM50085559 CHEMBL410213::Oligoadenylate analogue

SMILES: Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]5n5cnc6c(N)nc(C)nc56)O[C@H]4n4cnc5c(N)nc(C)nc45)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=RJDWJWWOGHGYKP-AAXGZXMCSA-N

Data: 1 IC50  2 EC50

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 3 hits for monomerid = 50085559   

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
RNase L (Homo sapiens (Human))	BDBM50085559 (CHEMBL410213 | Oligoadenylate analogue) Show SMILES Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]5n5cnc6c(N)nc(C)nc56)O[C@H]4n4cnc5c(N)nc(C)nc45)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C33H46N15O25P5/c1-10-40-25(34)16-28(43-10)46(7-37-16)31-22(52)19(49)13(67-31)4-64-75(56,57)70-23-20(50)14(68-32(23)47-8-38-17-26(35)41-11(2)44-29(17)47)5-65-76(58,59)71-24-21(51)15(6-66-77(60,61)73-78(62,63)72-74(53,54)55)69-33(24)48-9-39-18-27(36)42-12(3)45-30(18)48/h7-9,13-15,19-24,31-33,49-52H,4-6H2,1-3H3,(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H2,34,40,43)(H2,35,41,44)(H2,36,42,45)(H2,53,54,55)/t13-,14-,15-,19-,20-,21-,22-,23-,24-,31-,32-,33-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Compound was tested for its binding ability, by displacement of p(A2'p)3A3'[32p]p5'Cp from recombinant human ribonuclease L				Bioorg Med Chem Lett 10: 329-31 (2000) BindingDB Entry DOI: 10.7270/Q2TM79B4
					More data for this Ligand-Target Pair
RNase L (Homo sapiens (Human))	BDBM50085559 (CHEMBL410213 | Oligoadenylate analogue) Show SMILES Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]5n5cnc6c(N)nc(C)nc56)O[C@H]4n4cnc5c(N)nc(C)nc45)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C33H46N15O25P5/c1-10-40-25(34)16-28(43-10)46(7-37-16)31-22(52)19(49)13(67-31)4-64-75(56,57)70-23-20(50)14(68-32(23)47-8-38-17-26(35)41-11(2)44-29(17)47)5-65-76(58,59)71-24-21(51)15(6-66-77(60,61)73-78(62,63)72-74(53,54)55)69-33(24)48-9-39-18-27(36)42-12(3)45-30(18)48/h7-9,13-15,19-24,31-33,49-52H,4-6H2,1-3H3,(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H2,34,40,43)(H2,35,41,44)(H2,36,42,45)(H2,53,54,55)/t13-,14-,15-,19-,20-,21-,22-,23-,24-,31-,32-,33-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4.60	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Activation of purified recombinant human Ribonuclease L by the compound was measured as degradation of [32P]-pC11U2C7				Bioorg Med Chem Lett 10: 329-31 (2000) BindingDB Entry DOI: 10.7270/Q2TM79B4
					More data for this Ligand-Target Pair
RNase L (Homo sapiens (Human))	BDBM50085559 (CHEMBL410213 | Oligoadenylate analogue) Show SMILES Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]5n5cnc6c(N)nc(C)nc56)O[C@H]4n4cnc5c(N)nc(C)nc45)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C33H46N15O25P5/c1-10-40-25(34)16-28(43-10)46(7-37-16)31-22(52)19(49)13(67-31)4-64-75(56,57)70-23-20(50)14(68-32(23)47-8-38-17-26(35)41-11(2)44-29(17)47)5-65-76(58,59)71-24-21(51)15(6-66-77(60,61)73-78(62,63)72-74(53,54)55)69-33(24)48-9-39-18-27(36)42-12(3)45-30(18)48/h7-9,13-15,19-24,31-33,49-52H,4-6H2,1-3H3,(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H2,34,40,43)(H2,35,41,44)(H2,36,42,45)(H2,53,54,55)/t13-,14-,15-,19-,20-,21-,22-,23-,24-,31-,32-,33-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Compound was tested for its binding ability, by displacement of p(A2'p)3A3'[32p]p5'Cp from recombinant human ribonuclease L				Bioorg Med Chem Lett 10: 329-31 (2000) BindingDB Entry DOI: 10.7270/Q2TM79B4
					More data for this Ligand-Target Pair