BDBM50288830 CHEMBL4177272

SMILES: COc1ccccc1C(=O)Nc1nc2cc(ccc2s1)C(F)(F)F

InChI Key: InChIKey=WBFBQHWUSFCJST-UHFFFAOYSA-N

Data: 1 Kd

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 = 50288830   

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
Neuronal calcium sensor 1 (Homo sapiens)	BDBM50288830 (CHEMBL4177272) Show SMILES COc1ccccc1C(=O)Nc1nc2cc(ccc2s1)C(F)(F)F Show InChI InChI=1S/C16H11F3N2O2S/c1-23-12-5-3-2-4-10(12)14(22)21-15-20-11-8-9(16(17,18)19)6-7-13(11)24-15/h2-8H,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a
Biological Research Center Curated by ChEMBL					Assay Description Binding affinity to human NCS1 expressed in Escherichia coli BL21 Star (DE3) by fluorescence emission assay				J Med Chem 61: 5910-5921 (2018) Article DOI: 10.1021/acs.jmedchem.8b00088 BindingDB Entry DOI: 10.7270/Q2WS8WSQ
					More data for this Ligand-Target Pair