BDBM50400563 CHEMBL2206241

SMILES: CC[C@H](CO)Nc1nc(NCc2ccc(C)s2)c2ncn(C)c2n1

InChI Key: InChIKey=JCSMHYPJOXMPEO-LLVKDONJSA-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 = 50400563   

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))	BDBM50400563 (CHEMBL2206241) Show SMILES CC[C@H](CO)Nc1nc(NCc2ccc(C)s2)c2ncn(C)c2n1 |r| Show InChI InChI=1S/C16H22N6OS/c1-4-11(8-23)19-16-20-14(13-15(21-16)22(3)9-18-13)17-7-12-6-5-10(2)24-12/h5-6,9,11,23H,4,7-8H2,1-3H3,(H2,17,19,20,21)/t11-/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	3.00E+4	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