BDBM50279115 CHEMBL4171024

SMILES: CCCN1C(=O)\C(=N/C(=S)NCc2cc3ccccc3cc2O)c2ccccc12

InChI Key: InChIKey=GRBBZVKJQNEWDO-DAFNUICNSA-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 = 50279115   

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
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50279115 (CHEMBL4171024) Show SMILES CCCN1C(=O)\C(=N/C(=S)NCc2cc3ccccc3cc2O)c2ccccc12 Show InChI InChI=1S/C23H21N3O2S/c1-2-11-26-19-10-6-5-9-18(19)21(22(26)28)25-23(29)24-14-17-12-15-7-3-4-8-16(15)13-20(17)27/h3-10,12-13,27H,2,11,14H2,1H3,(H,24,29)/b25-21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
VIT University Curated by ChEMBL					Assay Description Antagonistic activity against the P2X7 ion channel				Eur J Med Chem 141: 417-426 (2017) Article DOI: 10.1016/j.ejmech.2017.09.076 BindingDB Entry DOI: 10.7270/Q26112TS
					More data for this Ligand-Target Pair