BDBM50027112 2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-N-Cyclopentadecyl-N'-methylene-hydrazine-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate::CHEMBL441064

SMILES: [#6]-[#8]-[#6]-1\[#6]=[#6]\[#8]C2([#6])[#8]-c3c(-[#6]2=O)c2cc(-[#6]-[#7]\[#7]=[#6]-4\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-4)c(-[#7]-[#6](=O)-[#6](-[#6])=[#6]-[#6]=[#6]-[#6](-[#6])-[#6](-[#8])-[#6](-[#6])-[#6](-[#8])-[#6](-[#6])-[#6](-[#8]-[#6](-[#6])=O)-[#6]-1-[#6])c(-[#8])c2c(-[#8])c3-[#6]

InChI Key: InChIKey=WXULYAYNPMYLDF-RBRZUFQSSA-N

Data: 2 IC50

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 2 hits for monomerid = 50027112   

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
DNA polymerase beta (Mus musculus)	BDBM50027112 (2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...) Show SMILES [#6]-[#8]-[#6]-1\[#6]=[#6]\[#8]C2([#6])[#8]-c3c(-[#6]2=O)c2cc(-[#6]-[#7]\[#7]=[#6]-4\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-4)c(-[#7]-[#6](=O)-[#6](-[#6])=[#6]-[#6]=[#6]-[#6](-[#6])-[#6](-[#8])-[#6](-[#6])-[#6](-[#8])-[#6](-[#6])-[#6](-[#8]-[#6](-[#6])=O)-[#6]-1-[#6])c(-[#8])c2c(-[#8])c3-[#6] |w:40.42,42.44,t:3| Show InChI InChI=1S/C53H77N3O11/c1-31-23-22-24-32(2)52(63)55-44-38(30-54-56-39-25-20-18-16-14-12-10-11-13-15-17-19-21-26-39)29-40-42(48(44)61)47(60)36(6)50-43(40)51(62)53(8,67-50)65-28-27-41(64-9)33(3)49(66-37(7)57)35(5)46(59)34(4)45(31)58/h22-24,27-29,31,33-35,41,45-46,49,54,58-61H,10-21,25-26,30H2,1-9H3,(H,55,63)/b23-22?,28-27+,32-24?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0000150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit mouse beta DNA polymerase				J Med Chem 23: 256-61 (1980) BindingDB Entry DOI: 10.7270/Q2XD10PG
					More data for this Ligand-Target Pair
Simian sarcoma virus Pol protein (Woolly monkey sarcoma virus)	BDBM50027112 (2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...) Show SMILES [#6]-[#8]-[#6]-1\[#6]=[#6]\[#8]C2([#6])[#8]-c3c(-[#6]2=O)c2cc(-[#6]-[#7]\[#7]=[#6]-4\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-4)c(-[#7]-[#6](=O)-[#6](-[#6])=[#6]-[#6]=[#6]-[#6](-[#6])-[#6](-[#8])-[#6](-[#6])-[#6](-[#8])-[#6](-[#6])-[#6](-[#8]-[#6](-[#6])=O)-[#6]-1-[#6])c(-[#8])c2c(-[#8])c3-[#6] |w:40.42,42.44,t:3| Show InChI InChI=1S/C53H77N3O11/c1-31-23-22-24-32(2)52(63)55-44-38(30-54-56-39-25-20-18-16-14-12-10-11-13-15-17-19-21-26-39)29-40-42(48(44)61)47(60)36(6)50-43(40)51(62)53(8,67-50)65-28-27-41(64-9)33(3)49(66-37(7)57)35(5)46(59)34(4)45(31)58/h22-24,27-29,31,33-35,41,45-46,49,54,58-61H,10-21,25-26,30H2,1-9H3,(H,55,63)/b23-22?,28-27+,32-24?	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00000100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit simian sarcoma virus reverse transcriptase				J Med Chem 23: 256-61 (1980) BindingDB Entry DOI: 10.7270/Q2XD10PG
					More data for this Ligand-Target Pair