BDBM50027127 26-hexahydro-1-pyrazinylmethyl-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-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::CHEMBL86564

SMILES: COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(CN4CCNCC4)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=JIACQAIPJJUSSV-SLMCIEDOSA-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 = 50027127   

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)	BDBM50027127 (26-hexahydro-1-pyrazinylmethyl-2,15,17,29-tetrahyd...) Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(CN4CCNCC4)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:30,t:3,32| Show InChI InChI=1S/C42H57N3O11/c1-21-11-10-12-22(2)41(52)44-33-28(20-45-16-14-43-15-17-45)19-29-31(37(33)50)36(49)26(6)39-32(29)40(51)42(8,56-39)54-18-13-30(53-9)23(3)38(55-27(7)46)25(5)35(48)24(4)34(21)47/h10-13,18-19,21,23-25,30,34-35,38,43,47-50H,14-17,20H2,1-9H3,(H,44,52)/b11-10+,18-13+,22-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20E+6	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)	BDBM50027127 (26-hexahydro-1-pyrazinylmethyl-2,15,17,29-tetrahyd...) Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(CN4CCNCC4)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:30,t:3,32| Show InChI InChI=1S/C42H57N3O11/c1-21-11-10-12-22(2)41(52)44-33-28(20-45-16-14-43-15-17-45)19-29-31(37(33)50)36(49)26(6)39-32(29)40(51)42(8,56-39)54-18-13-30(53-9)23(3)38(55-27(7)46)25(5)35(48)24(4)34(21)47/h10-13,18-19,21,23-25,30,34-35,38,43,47-50H,14-17,20H2,1-9H3,(H,44,52)/b11-10+,18-13+,22-12-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.45E+6	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