BDBM50027123 2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-Benzyl-2,6-dimethyl-piperazin-1-yl)-methylene-amino-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::CHEMBL424430

SMILES: COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4C(C)CN(Cc5ccccc5)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=VUVGQLFAXVEYSN-UXODDZADSA-N

Data: 1 KI  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 3 hits for monomerid = 50027123   

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)	BDBM50027123 (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(Cc5ccccc5)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:41,t:3,43| Show InChI InChI=1S/C51H66N4O11/c1-27-16-15-17-28(2)50(62)53-42-37(23-52-55-29(3)24-54(25-30(55)4)26-36-18-13-12-14-19-36)22-38-40(46(42)60)45(59)34(8)48-41(38)49(61)51(10,66-48)64-21-20-39(63-11)31(5)47(65-35(9)56)33(7)44(58)32(6)43(27)57/h12-23,27,29-33,39,43-44,47,57-60H,24-26H2,1-11H3,(H,53,62)/b16-15+,21-20+,28-17-,52-23+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.34E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit simian virus reverse transcriptase, expressed as log Ki.				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)	BDBM50027123 (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(Cc5ccccc5)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:41,t:3,43| Show InChI InChI=1S/C51H66N4O11/c1-27-16-15-17-28(2)50(62)53-42-37(23-52-55-29(3)24-54(25-30(55)4)26-36-18-13-12-14-19-36)22-38-40(46(42)60)45(59)34(8)48-41(38)49(61)51(10,66-48)64-21-20-39(63-11)31(5)47(65-35(9)56)33(7)44(58)32(6)43(27)57/h12-23,27,29-33,39,43-44,47,57-60H,24-26H2,1-11H3,(H,53,62)/b16-15+,21-20+,28-17-,52-23+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+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)	BDBM50027123 (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(Cc5ccccc5)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:41,t:3,43| Show InChI InChI=1S/C51H66N4O11/c1-27-16-15-17-28(2)50(62)53-42-37(23-52-55-29(3)24-54(25-30(55)4)26-36-18-13-12-14-19-36)22-38-40(46(42)60)45(59)34(8)48-41(38)49(61)51(10,66-48)64-21-20-39(63-11)31(5)47(65-35(9)56)33(7)44(58)32(6)43(27)57/h12-23,27,29-33,39,43-44,47,57-60H,24-26H2,1-11H3,(H,53,62)/b16-15+,21-20+,28-17-,52-23+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.25E+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