BDBM50461294 CHEMBL4226078

SMILES: OC(=O)C(F)(F)F.CN(Cc1ccc(OCCCN)cc1)c1nc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2s1

InChI Key: InChIKey=WQXJKJVPWVATHD-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 = 50461294   

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 N-type calcium channel subunit alpha-1B/Voltage-dependent calcium channel subunit alpha-2/delta-1/Voltage-dependent L-type calcium channel subunit beta-3 (Homo sapiens (Human))	BDBM50461294 (CHEMBL4226078) Show SMILES OC(=O)C(F)(F)F.CN(Cc1ccc(OCCCN)cc1)c1nc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2s1 Show InChI InChI=1S/C25H24F3N3O2S/c1-31(16-17-3-7-19(8-4-17)32-14-2-13-29)24-30-22-12-11-21(15-23(22)34-24)33-20-9-5-18(6-10-20)25(26,27)28/h3-12,15H,2,13-14,16,29H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.83E+5	n/a	n/a	n/a	n/a	n/a	n/a
IITB-Monash Research Academy Curated by ChEMBL					Assay Description Inhibition of Cav2.2 in human SH-SY5Y cells assessed as decrease in KCl-induced calcium mobilization measured after 600 secs post compound addition a...				Bioorg Med Chem 26: 3046-3059 (2018) Article DOI: 10.1016/j.bmc.2018.03.031 BindingDB Entry DOI: 10.7270/Q2BC4253
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50461294 (CHEMBL4226078) Show SMILES OC(=O)C(F)(F)F.CN(Cc1ccc(OCCCN)cc1)c1nc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2s1 Show InChI InChI=1S/C25H24F3N3O2S/c1-31(16-17-3-7-19(8-4-17)32-14-2-13-29)24-30-22-12-11-21(15-23(22)34-24)33-20-9-5-18(6-10-20)25(26,27)28/h3-12,15H,2,13-14,16,29H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.48E+5	n/a	n/a	n/a	n/a	n/a	n/a
IITB-Monash Research Academy Curated by ChEMBL					Assay Description Inhibition of recombinant human Cav3.2-alpha1 expressed in HEK293T cells assessed as decrease in KCl-induced calcium mobilization measured after 600 ...				Bioorg Med Chem 26: 3046-3059 (2018) Article DOI: 10.1016/j.bmc.2018.03.031 BindingDB Entry DOI: 10.7270/Q2BC4253
					More data for this Ligand-Target Pair