BDBM162932 US9056865, A-59

SMILES: COc1cnc(NC(=O)C2CCN(CC2)c2cc(c(Cl)cn2)-c2ncccc2C)cn1

InChI Key: InChIKey=FSGGUYJSHRKIGF-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 = 162932   

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))	BDBM162932 (US9056865, A-59) Show SMILES COc1cnc(NC(=O)C2CCN(CC2)c2cc(c(Cl)cn2)-c2ncccc2C)cn1 Show InChI InChI=1S/C22H23ClN6O2/c1-14-4-3-7-24-21(14)16-10-19(26-11-17(16)23)29-8-5-15(6-9-29)22(30)28-18-12-27-20(31-2)13-25-18/h3-4,7,10-13,15H,5-6,8-9H2,1-2H3,(H,25,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	71.4	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