BDBM87106 3-(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine::3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine::3-(3-chloro-6-methoxy-benzothiophen-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepine::MLS-0463488.0001::cid_2414965

SMILES: COc1ccc2c(Cl)c(sc2c1)-c1nnc2CCCCCn12

InChI Key: InChIKey=HXGGNHRLPHGOTP-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 87106   

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 dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM87106 (3-(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)-6,7...) Show SMILES COc1ccc2c(Cl)c(sc2c1)-c1nnc2CCCCCn12 Show InChI InChI=1S/C16H16ClN3OS/c1-21-10-6-7-11-12(9-10)22-15(14(11)17)16-19-18-13-5-3-2-4-8-20(13)16/h6-7,9H,2-5,8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>9.90E+4	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/Q25H7DV5
					More data for this Ligand-Target Pair