BDBM50323406 1-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-(4-fluorophenyl)piperazine::CHEMBL1209095

SMILES: Cc1nn(c(Cl)c1CN1CCN(CC1)c1ccc(F)cc1)-c1ccccc1

InChI Key: InChIKey=IRVSVOGCUKJKED-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 = 50323406   

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))	BDBM50323406 (1-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)met...) Show SMILES Cc1nn(c(Cl)c1CN1CCN(CC1)c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C21H22ClFN4/c1-16-20(21(22)27(24-16)19-5-3-2-4-6-19)15-25-11-13-26(14-12-25)18-9-7-17(23)8-10-18/h2-10H,11-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.86E+3	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))	BDBM50323406 (1-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)met...) Show SMILES Cc1nn(c(Cl)c1CN1CCN(CC1)c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C21H22ClFN4/c1-16-20(21(22)27(24-16)19-5-3-2-4-6-19)15-25-11-13-26(14-12-25)18-9-7-17(23)8-10-18/h2-10H,11-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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