BDBM50249488 4-benzyl-N-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)piperazin-1-amine::CHEMBL515916

SMILES: Cc1nn(c(C)c1C=NN1CCN(Cc2ccccc2)CC1)-c1ccccc1

InChI Key: InChIKey=FOORCIAZMIWALX-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50249488   

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))	BDBM50249488 (4-benzyl-N-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl...) Show SMILES Cc1nn(c(C)c1C=NN1CCN(Cc2ccccc2)CC1)-c1ccccc1 |w:7.7| Show InChI InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	25	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				3D Structure (crystal)
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50249488 (4-benzyl-N-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl...) Show SMILES Cc1nn(c(C)c1C=NN1CCN(Cc2ccccc2)CC1)-c1ccccc1 |w:7.7| Show InChI InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of SHH-mediated mouse C3H10T1/2 cells differentiation into osteoblasts by alkaline phosphatase assay				J Med Chem 52: 3829-45 (2009) Article DOI: 10.1021/jm801420y BindingDB Entry DOI: 10.7270/Q22N536M
					More data for this Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human))	BDBM50249488 (4-benzyl-N-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl...) Show SMILES Cc1nn(c(C)c1C=NN1CCN(Cc2ccccc2)CC1)-c1ccccc1 |w:7.7| Show InChI InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	4.70	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				3D Structure (crystal)