BDBM162991 US9056865, A-118

SMILES: Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CS(N)(=O)=O)CC1

InChI Key: InChIKey=BOXLEZKOEYHBKG-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 = 162991   

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
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human))	BDBM162991 (US9056865, A-118) Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CS(N)(=O)=O)CC1 Show InChI InChI=1S/C18H23ClN4O2S/c1-12-7-13(2)18(22-9-12)15-8-17(21-10-16(15)19)23-5-3-14(4-6-23)11-26(20,24)25/h7-10,14H,3-6,11H2,1-2H3,(H2,20,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.1	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. US Patent					Assay Description For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...				US Patent US9056865 (2015) BindingDB Entry DOI: 10.7270/Q2R49PH7
					More data for this Ligand-Target Pair