BDBM50385642 CHEMBL2043435

SMILES: CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=RXTFXQUMCIINQD-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 = 50385642   

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)	BDBM50385642 (CHEMBL2043435) Show SMILES CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N5O/c1-29-11-10-15(12-18(29)19-27-16-4-2-3-5-17(16)28-19)26-20(30)25-14-8-6-13(7-9-14)21(22,23)24/h2-9,15,18H,10-12H2,1H3,(H,27,28)(H2,25,26,30)/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	5	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