BDBM92549 Coumarin analogue, 3g

SMILES: Brc1ccc(CN=Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1

InChI Key: InChIKey=JDFRTOIDLABRHQ-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 92549   

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
Cholinesterases (Homo sapiens (Human))	BDBM92549 (Coumarin analogue, 3g) Show SMILES Brc1ccc(CN=Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1 |w:7.7| Show InChI InChI=1S/C19H12BrN3O2S/c20-14-7-5-12(6-8-14)10-21-23-19-22-16(11-26-19)15-9-13-3-1-2-4-17(13)25-18(15)24/h1-9,11H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology					Assay Description Inhibition assay using AChE and BuChE.				Chem Biol Drug Des 80: 605-15 (2012) Article DOI: 10.1111/j.1747-0285.2012.01435.x BindingDB Entry DOI: 10.7270/Q28P5Z3T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM92549 (Coumarin analogue, 3g) Show SMILES Brc1ccc(CN=Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1 |w:7.7| Show InChI InChI=1S/C19H12BrN3O2S/c20-14-7-5-12(6-8-14)10-21-23-19-22-16(11-26-19)15-9-13-3-1-2-4-17(13)25-18(15)24/h1-9,11H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology					Assay Description Inhibition assay using AChE and BuChE.				Chem Biol Drug Des 80: 605-15 (2012) Article DOI: 10.1111/j.1747-0285.2012.01435.x BindingDB Entry DOI: 10.7270/Q28P5Z3T
					More data for this Ligand-Target Pair