BDBM50421190 CHEMBL2086805

SMILES: COc1c(C(=O)NC2CCN(CCO)CC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21

InChI Key: InChIKey=APXCVYPSILYWCO-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 = 50421190   

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))	BDBM50421190 (CHEMBL2086805) Show SMILES COc1c(C(=O)NC2CCN(CCO)CC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21 Show InChI InChI=1S/C29H32N4O5/c1-31-25-21-10-6-7-11-22(21)33(18-23(35)19-8-4-3-5-9-19)29(37)24(25)27(38-2)26(31)28(36)30-20-12-14-32(15-13-20)16-17-34/h3-11,20,34H,12-18H2,1-2H3,(H,30,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	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 expressed in human NIH/3T3 cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase reporter ge...				Bioorg Med Chem 20: 5496-506 (2012) Article DOI: 10.1016/j.bmc.2012.07.039 BindingDB Entry DOI: 10.7270/Q2N017TJ
					More data for this Ligand-Target Pair