BDBM50352261 CHEMBL1822304

SMILES: O=C(NCC1(CCCC1)N1CCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1

InChI Key: InChIKey=IUSWRJCQTWVTKR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50352261   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50352261 (CHEMBL1822304) Show SMILES O=C(NCC1(CCCC1)N1CCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C27H34N6O2/c34-26(28-19-27(13-3-4-14-27)33-15-5-6-16-33)32-17-11-21(12-18-32)25-30-24(31-35-25)23-10-9-20-7-1-2-8-22(20)29-23/h1-2,7-10,21H,3-6,11-19H2,(H,28,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human ERG				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))	BDBM50352261 (CHEMBL1822304) Show SMILES O=C(NCC1(CCCC1)N1CCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C27H34N6O2/c34-26(28-19-27(13-3-4-14-27)33-15-5-6-16-33)32-17-11-21(12-18-32)25-30-24(31-35-25)23-10-9-20-7-1-2-8-22(20)29-23/h1-2,7-10,21H,3-6,11-19H2,(H,28,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	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))	BDBM50352261 (CHEMBL1822304) Show SMILES O=C(NCC1(CCCC1)N1CCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C27H34N6O2/c34-26(28-19-27(13-3-4-14-27)33-15-5-6-16-33)32-17-11-21(12-18-32)25-30-24(31-35-25)23-10-9-20-7-1-2-8-22(20)29-23/h1-2,7-10,21H,3-6,11-19H2,(H,28,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	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