BDBM50027125 2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-4-(3,5-Dimethyl-4-methyleneamino-piperazin-1-ylmethyl)-benzonitrile-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::CHEMBL88229

SMILES: COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4C(C)CN(Cc5ccc(cc5)C#N)CC4C)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=IVFTWHUFJWSIIB-UQEVDCTDSA-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 = 50027125   

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)	BDBM50027125 (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\N4C(C)CN(Cc5ccc(cc5)C#N)CC4C)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:43,t:3,45| Show InChI InChI=1S/C52H65N5O11/c1-27-13-12-14-28(2)51(64)55-43-38(23-54-57-29(3)24-56(25-30(57)4)26-37-17-15-36(22-53)16-18-37)21-39-41(47(43)62)46(61)34(8)49-42(39)50(63)52(10,68-49)66-20-19-40(65-11)31(5)48(67-35(9)58)33(7)45(60)32(6)44(27)59/h12-21,23,27,29-33,40,44-45,48,59-62H,24-26H2,1-11H3,(H,55,64)/b13-12+,20-19+,28-14-,54-23+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+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)	BDBM50027125 (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\N4C(C)CN(Cc5ccc(cc5)C#N)CC4C)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:43,t:3,45| Show InChI InChI=1S/C52H65N5O11/c1-27-13-12-14-28(2)51(64)55-43-38(23-54-57-29(3)24-56(25-30(57)4)26-37-17-15-36(22-53)16-18-37)21-39-41(47(43)62)46(61)34(8)49-42(39)50(63)52(10,68-49)66-20-19-40(65-11)31(5)48(67-35(9)58)33(7)45(60)32(6)44(27)59/h12-21,23,27,29-33,40,44-45,48,59-62H,24-26H2,1-11H3,(H,55,64)/b13-12+,20-19+,28-14-,54-23+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+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