BDBM80164 3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4-(veratrylideneamino)-1H-1,2,4-triazole-5-thione::4-[(3,4-dimethoxyphenyl)methylideneamino]-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1H-1,2,4-triazole-5-thione::4-{[1-(3,4-Dimethoxy-phenyl)-meth-(E)-ylidene]-amino}-5-(1,4,5,6-tetrahydro-cyclopentapyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol::MLS000331448::SMR000220875::cid_1423282
SMILES: COc1ccc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)cc1OC
InChI Key: InChIKey=RVKNIWJZPYQOTK-BPBKJBBCSA-N
Data: 2 IC50
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 |
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probable DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human)) | BDBM80164![]() (3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | 25 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2CZ35ND | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human)) | BDBM80164![]() (3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.49E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2HQ3XD6 | |||||||||||
More data for this Ligand-Target Pair |