BDBM50385638 CHEMBL2043432

SMILES: CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)c1ccc2OCCOc2c1

InChI Key: InChIKey=WJZXLGBXZRBBHC-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 = 50385638   

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)	BDBM50385638 (CHEMBL2043432) Show SMILES CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C22H24N4O3/c1-26-9-8-15(13-18(26)21-24-16-4-2-3-5-17(16)25-21)23-22(27)14-6-7-19-20(12-14)29-11-10-28-19/h2-7,12,15,18H,8-11,13H2,1H3,(H,23,27)(H,24,25)/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	43	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