BDBM50027119 2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-methylhexahydro-1-pyrazinyliminomethyl)-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::CHEMBL313137

SMILES: COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C

InChI Key: InChIKey=BULHAWBRMBVWPA-OOTPPLNISA-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 = 50027119   

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
Simian sarcoma virus Pol protein (Woolly monkey sarcoma virus)	BDBM50027119 (2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...) Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:32,t:3,34| Show InChI InChI=1S/C43H58N4O11/c1-22-12-11-13-23(2)42(54)45-34-29(21-44-47-17-15-46(9)16-18-47)20-30-32(38(34)52)37(51)27(6)40-33(30)41(53)43(8,58-40)56-19-14-31(55-10)24(3)39(57-28(7)48)26(5)36(50)25(4)35(22)49/h11-14,19-22,24-26,31,35-36,39,49-52H,15-18H2,1-10H3,(H,45,54)/b12-11+,19-14+,23-13-,44-21+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20E+4	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
DNA polymerase beta (Mus musculus)	BDBM50027119 (2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...) Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:32,t:3,34| Show InChI InChI=1S/C43H58N4O11/c1-22-12-11-13-23(2)42(54)45-34-29(21-44-47-17-15-46(9)16-18-47)20-30-32(38(34)52)37(51)27(6)40-33(30)41(53)43(8,58-40)56-19-14-31(55-10)24(3)39(57-28(7)48)26(5)36(50)25(4)35(22)49/h11-14,19-22,24-26,31,35-36,39,49-52H,15-18H2,1-10H3,(H,45,54)/b12-11+,19-14+,23-13-,44-21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+5	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