BDBM50400570 CHEMBL2206254

SMILES: CC[C@H](CO)Nc1nc(NCCc2ccccc2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=IZTUOVOTDRDXOG-MRXNPFEDSA-N

Data: 1 EC50

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 1 hit for monomerid = 50400570   

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-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human))	BDBM50400570 (CHEMBL2206254) Show SMILES CC[C@H](CO)Nc1nc(NCCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H28N6O/c1-4-16(12-27)23-20-24-18(21-11-10-15-8-6-5-7-9-15)17-19(25-20)26(13-22-17)14(2)3/h5-9,13-14,16,27H,4,10-12H2,1-3H3,(H2,21,23,24,25)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method				ACS Med Chem Lett 3: 985-990 (2012) Article DOI: 10.1021/ml3002083 BindingDB Entry DOI: 10.7270/Q2BC40P0
					More data for this Ligand-Target Pair