BDBM50421184 CHEMBL2086798

SMILES: COc1c(sc2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21)C(=O)NCCN1CCCC1

InChI Key: InChIKey=QJZWMYPQWAPKKV-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 = 50421184   

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))	BDBM50421184 (CHEMBL2086798) Show SMILES COc1c(sc2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C27H27N3O4S/c1-34-23-22-24(35-25(23)26(32)28-13-16-29-14-7-8-15-29)19-11-5-6-12-20(19)30(27(22)33)17-21(31)18-9-3-2-4-10-18/h2-6,9-12H,7-8,13-17H2,1H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	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