BDBM50348461 CHEMBL1801211

SMILES: CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCNCC1

InChI Key: InChIKey=JKAOGJXEFQNYHE-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 = 50348461   

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
Voltage-dependent calcium channel subunit alpha-2/delta-2 (Homo sapiens (Human))	BDBM50348461 (CHEMBL1801211) Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCNCC1 Show InChI InChI=1S/C19H24N6O/c1-4-26-16-7-5-15(6-8-16)25-14(3)17-13(2)21-22-19(18(17)23-25)24-11-9-20-10-12-24/h5-8,20H,4,9-12H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity at voltage-gated calcium channel subunit alpha2delta2				Bioorg Med Chem Lett 20: 4683-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.026 BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1 (Homo sapiens (Human))	BDBM50348461 (CHEMBL1801211) Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCNCC1 Show InChI InChI=1S/C19H24N6O/c1-4-26-16-7-5-15(6-8-16)25-14(3)17-13(2)21-22-19(18(17)23-25)24-11-9-20-10-12-24/h5-8,20H,4,9-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity at voltage-gated calcium channel subunit alpha2delta1				Bioorg Med Chem Lett 20: 4683-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.026 BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
					More data for this Ligand-Target Pair