BDBM163014 US9056865, A-141

SMILES: Cc1cnc(c(C)c1)-c1ccnc(c1)N1CCN(CC1)C(=O)CCS(C)(=O)=O

InChI Key: InChIKey=RZOKTVMRGRINNO-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 = 163014   

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))	BDBM163014 (US9056865, A-141) Show SMILES Cc1cnc(c(C)c1)-c1ccnc(c1)N1CCN(CC1)C(=O)CCS(C)(=O)=O Show InChI InChI=1S/C20H26N4O3S/c1-15-12-16(2)20(22-14-15)17-4-6-21-18(13-17)23-7-9-24(10-8-23)19(25)5-11-28(3,26)27/h4,6,12-14H,5,7-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.6	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