BDBM66980 Bucladesine sodium salt::MLS002154012::SMR001233340::cid_24871279::sodium;[(4aS,5R,6R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxidanidyl-2-oxidanylidene-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3,2]dioxaphosphinin-5-yl] butanoate;hydrate::sodium;[(4aS,5R,6R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3,2]dioxaphosphinin-5-yl] butanoate;hydrate::sodium;butanoic acid [(4aS,5R,6R,7aR)-2-oxido-2-oxo-6-[6-(1-oxobutylamino)-9-purinyl]-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3,2]dioxaphosphorin-5-yl] ester;hydrate::sodium;butyric acid [(4aS,5R,6R,7aR)-6-(6-butyramidopurin-9-yl)-2-keto-2-oxido-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3,2]dioxaphosphorin-5-yl] ester;hydrate

SMILES: CCCC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2OP([O-])(=O)OC[C@H]2[C@H]1OC(=O)CCC

InChI Key: InChIKey=ZKSUYDZTGVUZGX-VBJMPTANSA-M

Data: 5 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 5 hits for monomerid = 66980   

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
Bcl-2-like protein 11 (Homo sapiens (Human))	BDBM66980 (Bucladesine sodium salt | MLS002154012 | SMR001233...) Show SMILES CCCC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2OP([O-])(=O)OC[C@H]2[C@H]1OC(=O)CCC Show InChI InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-15-13-16(20-8-19-15)23(9-21-13)17-14(29-12(25)6-4-2)10-7-28-32(26,27)31-18(10)30-17/h8-10,14,17-18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/p-1/t10-,14+,17+,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.50E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24J0CKJ
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase type I-alpha regulatory subunit (Bos taurus)	BDBM66980 (Bucladesine sodium salt | MLS002154012 | SMR001233...) Show SMILES CCCC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2OP([O-])(=O)OC[C@H]2[C@H]1OC(=O)CCC Show InChI InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-15-13-16(20-8-19-15)23(9-21-13)17-14(29-12(25)6-4-2)10-7-28-32(26,27)31-18(10)30-17/h8-10,14,17-18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/p-1/t10-,14+,17+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2Q81BJK
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase type I-alpha regulatory subunit (Bos taurus)	BDBM66980 (Bucladesine sodium salt | MLS002154012 | SMR001233...) Show SMILES CCCC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2OP([O-])(=O)OC[C@H]2[C@H]1OC(=O)CCC Show InChI InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-15-13-16(20-8-19-15)23(9-21-13)17-14(29-12(25)6-4-2)10-7-28-32(26,27)31-18(10)30-17/h8-10,14,17-18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/p-1/t10-,14+,17+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q29Z93B6
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase type II-beta regulatory subunit (Homo sapiens (Human))	BDBM66980 (Bucladesine sodium salt | MLS002154012 | SMR001233...) Show SMILES CCCC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2OP([O-])(=O)OC[C@H]2[C@H]1OC(=O)CCC Show InChI InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-15-13-16(20-8-19-15)23(9-21-13)17-14(29-12(25)6-4-2)10-7-28-32(26,27)31-18(10)30-17/h8-10,14,17-18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/p-1/t10-,14+,17+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2FQ9V2J
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase type II-beta regulatory subunit (Homo sapiens (Human))	BDBM66980 (Bucladesine sodium salt | MLS002154012 | SMR001233...) Show SMILES CCCC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2OP([O-])(=O)OC[C@H]2[C@H]1OC(=O)CCC Show InChI InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-15-13-16(20-8-19-15)23(9-21-13)17-14(29-12(25)6-4-2)10-7-28-32(26,27)31-18(10)30-17/h8-10,14,17-18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/p-1/t10-,14+,17+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2KH0KSD
					More data for this Ligand-Target Pair