BDBM50027109 2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-carbaldehyde O-benzhydryl-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::CHEMBL407384

SMILES: COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\OC(c4ccccc4)c4ccccc4)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=MUPFBVFVAWNWMI-MFGIWUPUSA-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 = 50027109   

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)	BDBM50027109 (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\OC(c4ccccc4)c4ccccc4)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:40,t:3,42| Show InChI InChI=1S/C51H58N2O12/c1-27-17-16-18-28(2)50(60)53-41-36(26-52-65-48(34-19-12-10-13-20-34)35-21-14-11-15-22-35)25-37-39(45(41)58)44(57)32(6)47-40(37)49(59)51(8,64-47)62-24-23-38(61-9)29(3)46(63-33(7)54)31(5)43(56)30(4)42(27)55/h10-27,29-31,38,42-43,46,48,55-58H,1-9H3,(H,53,60)/b17-16+,24-23+,28-18-,52-26+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	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)	BDBM50027109 (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\OC(c4ccccc4)c4ccccc4)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:40,t:3,42| Show InChI InChI=1S/C51H58N2O12/c1-27-17-16-18-28(2)50(60)53-41-36(26-52-65-48(34-19-12-10-13-20-34)35-21-14-11-15-22-35)25-37-39(45(41)58)44(57)32(6)47-40(37)49(59)51(8,64-47)62-24-23-38(61-9)29(3)46(63-33(7)54)31(5)43(56)30(4)42(27)55/h10-27,29-31,38,42-43,46,48,55-58H,1-9H3,(H,53,60)/b17-16+,24-23+,28-18-,52-26+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	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