BDBM50385640 CHEMBL2043433

SMILES: CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc2OCCOc2c1

InChI Key: InChIKey=LYAJEDCSRBEEKH-CRAIPNDOSA-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 = 50385640   

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
Smoothened homolog (Mus musculus)	BDBM50385640 (CHEMBL2043433) Show SMILES CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C22H25N5O3/c1-27-9-8-15(12-18(27)21-25-16-4-2-3-5-17(16)26-21)24-22(28)23-14-6-7-19-20(13-14)30-11-10-29-19/h2-7,13,15,18H,8-12H2,1H3,(H,25,26)(H2,23,24,28)/t15-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hr...				ACS Med Chem Lett 3: 106-111 (2012) Article DOI: 10.1021/ml2002423 BindingDB Entry DOI: 10.7270/Q2W096Z4
					More data for this Ligand-Target Pair