BDBM50199714 CHEMBL3922564

SMILES: CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2ccc(cc2)C(O)=O)c1=O

InChI Key: InChIKey=HAISKEJFQSPYKC-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50199714   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50199714 (CHEMBL3922564) Show SMILES CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2ccc(cc2)C(O)=O)c1=O Show InChI InChI=1S/C21H19N3O4/c1-3-24-20(26)19(22-16-11-9-15(10-12-16)21(27)28)17(13(2)25)18(23-24)14-7-5-4-6-8-14/h4-12,22H,3H2,1-2H3,(H,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC as substrate preincubated for 15 mins followed by substrate addition by UV-spectrophotometric analysis				Eur J Med Chem 122: 17-26 (2016) Article DOI: 10.1016/j.ejmech.2016.06.022 BindingDB Entry DOI: 10.7270/Q2QZ2CX6
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50199714 (CHEMBL3922564) Show SMILES CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2ccc(cc2)C(O)=O)c1=O Show InChI InChI=1S/C21H19N3O4/c1-3-24-20(26)19(22-16-11-9-15(10-12-16)21(27)28)17(13(2)25)18(23-24)14-7-5-4-6-8-14/h4-12,22H,3H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B1 assessed as reduction in [3H]cAMP hydrolysis to [3H]AMP incubated for 60 mins by PDE-SPA assay				J Med Chem 59: 10479-10497 (2016) Article DOI: 10.1021/acs.jmedchem.6b00829 BindingDB Entry DOI: 10.7270/Q21G0P75
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50199714 (CHEMBL3922564) Show SMILES CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2ccc(cc2)C(O)=O)c1=O Show InChI InChI=1S/C21H19N3O4/c1-3-24-20(26)19(22-16-11-9-15(10-12-16)21(27)28)17(13(2)25)18(23-24)14-7-5-4-6-8-14/h4-12,22H,3H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using BTC as substrate preincubated for 15 mins followed by substrate addition by UV-spectrophotometric analysis				Eur J Med Chem 122: 17-26 (2016) Article DOI: 10.1016/j.ejmech.2016.06.022 BindingDB Entry DOI: 10.7270/Q2QZ2CX6
					More data for this Ligand-Target Pair