BDBM50401330 CHEMBL2205224

SMILES: COc1c(C(=O)NC2CCN(CC2)C(=O)CO)n(C)c2cc(C)n(CC(=O)c3ccccc3)c(=O)c12

InChI Key: InChIKey=JTZYKCUYXDNHAG-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 = 50401330   

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
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50401330 (CHEMBL2205224) Show SMILES COc1c(C(=O)NC2CCN(CC2)C(=O)CO)n(C)c2cc(C)n(CC(=O)c3ccccc3)c(=O)c12 Show InChI InChI=1S/C26H30N4O6/c1-16-13-19-22(26(35)30(16)14-20(32)17-7-5-4-6-8-17)24(36-3)23(28(19)2)25(34)27-18-9-11-29(12-10-18)21(33)15-31/h4-8,13,18,31H,9-12,14-15H2,1-3H3,(H,27,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant mouse Shh-N expressed in mouse NIH3T3/Gli-luc cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase re...				Bioorg Med Chem 20: 5507-17 (2012) Article DOI: 10.1016/j.bmc.2012.07.034 BindingDB Entry DOI: 10.7270/Q2ZS2XP4
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