BDBM50027121 2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-N'-Methylene-N,N-dioctyl-hydrazine-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::2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-N,N-Dioctyl-N'-methylene-hydrazine-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::CHEMBL84625

SMILES: CCCCCCCCN(CCCCCCCC)\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4

InChI Key: InChIKey=NBACJDQSNFDOAH-PZGXHWRPSA-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 = 50027121   

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)	BDBM50027121 (2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...) Show SMILES CCCCCCCCN(CCCCCCCC)\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4 |c:44,t:46,68| Show InChI InChI=1S/C54H81N3O11/c1-12-14-16-18-20-22-28-57(29-23-21-19-17-15-13-2)55-32-40-31-41-43-48(61)38(8)51-44(41)52(63)54(10,68-51)66-30-27-42(65-11)35(5)50(67-39(9)58)37(7)47(60)36(6)46(59)33(3)25-24-26-34(4)53(64)56-45(40)49(43)62/h24-27,30-33,35-37,42,46-47,50,59-62H,12-23,28-29H2,1-11H3,(H,56,64)/b25-24+,30-27+,34-26-,55-32+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.07E+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
Simian sarcoma virus Pol protein (Woolly monkey sarcoma virus)	BDBM50027121 (2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...) Show SMILES CCCCCCCCN(CCCCCCCC)\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4 |c:44,t:46,68| Show InChI InChI=1S/C54H81N3O11/c1-12-14-16-18-20-22-28-57(29-23-21-19-17-15-13-2)55-32-40-31-41-43-48(61)38(8)51-44(41)52(63)54(10,68-51)66-30-27-42(65-11)35(5)50(67-39(9)58)37(7)47(60)36(6)46(59)33(3)25-24-26-34(4)53(64)56-45(40)49(43)62/h24-27,30-33,35-37,42,46-47,50,59-62H,12-23,28-29H2,1-11H3,(H,56,64)/b25-24+,30-27+,34-26-,55-32+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00000300	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
DNA polymerase beta (Mus musculus)	BDBM50027121 (2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...) Show SMILES CCCCCCCCN(CCCCCCCC)\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4 |c:44,t:46,68| Show InChI InChI=1S/C54H81N3O11/c1-12-14-16-18-20-22-28-57(29-23-21-19-17-15-13-2)55-32-40-31-41-43-48(61)38(8)51-44(41)52(63)54(10,68-51)66-30-27-42(65-11)35(5)50(67-39(9)58)37(7)47(60)36(6)46(59)33(3)25-24-26-34(4)53(64)56-45(40)49(43)62/h24-27,30-33,35-37,42,46-47,50,59-62H,12-23,28-29H2,1-11H3,(H,56,64)/b25-24+,30-27+,34-26-,55-32+	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