BDBM50352273 CHEMBL1822464

SMILES: Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)NCC1(CCCC1)N1CCCCC1

InChI Key: InChIKey=OKLWKKXSYJEBCN-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 = 50352273   

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))	BDBM50352273 (CHEMBL1822464) Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)NCC1(CCCC1)N1CCCCC1 Show InChI InChI=1S/C27H37N7O2/c1-32-22-10-4-3-9-21(22)29-24(32)23-30-25(36-31-23)20-11-17-33(18-12-20)26(35)28-19-27(13-5-6-14-27)34-15-7-2-8-16-34/h3-4,9-10,20H,2,5-8,11-19H2,1H3,(H,28,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human))	BDBM50352273 (CHEMBL1822464) Show SMILES Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)NCC1(CCCC1)N1CCCCC1 Show InChI InChI=1S/C27H37N7O2/c1-32-22-10-4-3-9-21(22)29-24(32)23-30-25(36-31-23)20-11-17-33(18-12-20)26(35)28-19-27(13-5-6-14-27)34-15-7-2-8-16-34/h3-4,9-10,20H,2,5-8,11-19H2,1H3,(H,28,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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