BDBM50352279 CHEMBL1822453

SMILES: O=C(NCC(N1CCCCC1)c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1

InChI Key: InChIKey=AWUSEWFIOJHHGJ-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 = 50352279   

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))	BDBM50352279 (CHEMBL1822453) Show SMILES O=C(NCC(N1CCCCC1)c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C30H34N6O2/c37-30(31-21-27(23-10-3-1-4-11-23)35-17-7-2-8-18-35)36-19-15-24(16-20-36)29-33-28(34-38-29)26-14-13-22-9-5-6-12-25(22)32-26/h1,3-6,9-14,24,27H,2,7-8,15-21H2,(H,31,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	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))	BDBM50352279 (CHEMBL1822453) Show SMILES O=C(NCC(N1CCCCC1)c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C30H34N6O2/c37-30(31-21-27(23-10-3-1-4-11-23)35-17-7-2-8-18-35)36-19-15-24(16-20-36)29-33-28(34-38-29)26-14-13-22-9-5-6-12-25(22)32-26/h1,3-6,9-14,24,27H,2,7-8,15-21H2,(H,31,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	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