BDBM50027113 2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-carbaldehyde O-(3-phenyl-propyl)-oxime-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::CHEMBL89762

SMILES: COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\OCCCc4ccccc4)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=FITGRBQIDXHFKH-URSIIAADSA-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 = 50027113   

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)	BDBM50027113 (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\OCCCc4ccccc4)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:35,t:3,37| Show InChI InChI=1S/C47H58N2O12/c1-25-15-13-16-26(2)46(56)49-38-33(24-48-59-21-14-19-32-17-11-10-12-18-32)23-34-36(42(38)54)41(53)30(6)44-37(34)45(55)47(8,61-44)58-22-20-35(57-9)27(3)43(60-31(7)50)29(5)40(52)28(4)39(25)51/h10-13,15-18,20,22-25,27-29,35,39-40,43,51-54H,14,19,21H2,1-9H3,(H,49,56)/b15-13+,22-20+,26-16-,48-24+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00000700	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)	BDBM50027113 (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\OCCCc4ccccc4)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:35,t:3,37| Show InChI InChI=1S/C47H58N2O12/c1-25-15-13-16-26(2)46(56)49-38-33(24-48-59-21-14-19-32-17-11-10-12-18-32)23-34-36(42(38)54)41(53)30(6)44-37(34)45(55)47(8,61-44)58-22-20-35(57-9)27(3)43(60-31(7)50)29(5)40(52)28(4)39(25)51/h10-13,15-18,20,22-25,27-29,35,39-40,43,51-54H,14,19,21H2,1-9H3,(H,49,56)/b15-13+,22-20+,26-16-,48-24+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00000600	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