BDBM50157994 CHEMBL183764::Pyridine-2-carboxylic acid [13-(5-chloro-thiophene-2-sulfonylamino)-tricyclo[8.2.1.0*3,8*]trideca-3(8),4,6-trien-5-yl]-amide

SMILES: Clc1ccc(s1)S(=O)(=O)NC1C2CCC1Cc1cc(NC(=O)c3ccccn3)ccc1C2

InChI Key: InChIKey=IKDPHCOJIWPJEY-UHFFFAOYSA-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 = 50157994   

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
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2 (Homo sapiens (Human))	BDBM50157994 (CHEMBL183764 | Pyridine-2-carboxylic acid [13-(5-c...) Show SMILES Clc1ccc(s1)S(=O)(=O)NC1C2CCC1Cc1cc(NC(=O)c3ccccn3)ccc1C2 |THB:9:10:16.30.15.31:12.13,17:16:10:12.13,29:30:10:12.13| Show InChI InChI=1S/C23H22ClN3O3S2/c24-20-8-9-21(31-20)32(29,30)27-22-15-4-5-16(22)12-17-13-18(7-6-14(17)11-15)26-23(28)19-3-1-2-10-25-19/h1-3,6-10,13,15-16,22,27H,4-5,11-12H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL 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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
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