BDBM50027114 2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-N'-Methylene-N,N-dipentyl-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-Dipentyl-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::CHEMBL264475
SMILES: CCCCCN(CCCCC)\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=UGDADLIZAWSSOL-OBZSDQAPSA-N
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) | BDBM50027114 (2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.45E+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) | BDBM50027114 (2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.40E+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 | |||||||||||||
DNA polymerase beta (Mus musculus) | BDBM50027114 (2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.80E+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 |