BDBM50323405 1-((1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)methyl)-4-(3-methoxyphenyl)piperazine::CHEMBL1209048

SMILES: COc1cccc(c1)N1CCN(Cc2c(C)nn(c2C)-c2ccc(F)cc2)CC1

InChI Key: InChIKey=STSDFTHBTSWXTG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50323405   

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
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human))	BDBM50323405 (1-((1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-y...) Show SMILES COc1cccc(c1)N1CCN(Cc2c(C)nn(c2C)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H27FN4O/c1-17-23(18(2)28(25-17)20-9-7-19(24)8-10-20)16-26-11-13-27(14-12-26)21-5-4-6-22(15-21)29-3/h4-10,15H,11-14,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	823	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay				Bioorg Med Chem Lett 20: 4932-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F
					More data for this Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human))	BDBM50323405 (1-((1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-y...) Show SMILES COc1cccc(c1)N1CCN(Cc2c(C)nn(c2C)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H27FN4O/c1-17-23(18(2)28(25-17)20-9-7-19(24)8-10-20)16-26-11-13-27(14-12-26)21-5-4-6-22(15-21)29-3/h4-10,15H,11-14,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Smoothened transfected in HEK293 cells by binding assay				Bioorg Med Chem Lett 20: 4932-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F
					More data for this Ligand-Target Pair