BDBM50510947 CHEMBL4453871

SMILES: COc1ncc(cc1NS(=O)(=O)c1ccccc1C(F)(F)F)-c1ccc(s1)-c1cnc2C(=O)N(C)Cc2c1

InChI Key: InChIKey=DJMFZWCDWOMIOE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50510947   

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
Perforin-1 (Homo sapiens (Human))	BDBM50510947 (CHEMBL4453871) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccccc1C(F)(F)F)-c1ccc(s1)-c1cnc2C(=O)N(C)Cc2c1 Show InChI InChI=1S/C25H19F3N4O4S2/c1-32-13-16-9-14(11-29-22(16)24(32)33)19-7-8-20(37-19)15-10-18(23(36-2)30-12-15)31-38(34,35)21-6-4-3-5-17(21)25(26,27)28/h3-12,31H,13H2,1-2H3	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of perforin in human KHYG-1 cells pre-treated with compound for 20 mins assessed as reduction in KHYG-1 cells-mediated cell lysis of human...				J Med Chem 63: 2229-2239 (2020) Article DOI: 10.1021/acs.jmedchem.9b00881
					More data for this Ligand-Target Pair
Perforin-1 (Homo sapiens (Human))	BDBM50510947 (CHEMBL4453871) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccccc1C(F)(F)F)-c1ccc(s1)-c1cnc2C(=O)N(C)Cc2c1 Show InChI InChI=1S/C25H19F3N4O4S2/c1-32-13-16-9-14(11-29-22(16)24(32)33)19-7-8-20(37-19)15-10-18(23(36-2)30-12-15)31-38(34,35)21-6-4-3-5-17(21)25(26,27)28/h3-12,31H,13H2,1-2H3	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of perforin (unknown origin) assessed as reduction in perforin-mediated cell lysis in human Jurkat T cells incubated for 30 mins by 51Cr r...				J Med Chem 63: 2229-2239 (2020) Article DOI: 10.1021/acs.jmedchem.9b00881
					More data for this Ligand-Target Pair