BDBM50352274 CHEMBL1822459

SMILES: CCN1CCCCC1CNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1

InChI Key: InChIKey=ZJJBZMRNPYYBRV-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 = 50352274   

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))	BDBM50352274 (CHEMBL1822459) Show SMILES CCN1CCCCC1CNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C25H32N6O2/c1-2-30-14-6-5-8-20(30)17-26-25(32)31-15-12-19(13-16-31)24-28-23(29-33-24)22-11-10-18-7-3-4-9-21(18)27-22/h3-4,7,9-11,19-20H,2,5-6,8,12-17H2,1H3,(H,26,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human seru...				Bioorg Med Chem Lett 21: 5283-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.030 BindingDB Entry DOI: 10.7270/Q24F1R35
					More data for this Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human))	BDBM50352274 (CHEMBL1822459) Show SMILES CCN1CCCCC1CNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C25H32N6O2/c1-2-30-14-6-5-8-20(30)17-26-25(32)31-15-12-19(13-16-31)24-28-23(29-33-24)22-11-10-18-7-3-4-9-21(18)27-22/h3-4,7,9-11,19-20H,2,5-6,8,12-17H2,1H3,(H,26,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum				Bioorg Med Chem Lett 21: 5283-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.030 BindingDB Entry DOI: 10.7270/Q24F1R35
					More data for this Ligand-Target Pair