BDBM50461298 CHEMBL4228579

SMILES: OC(=O)C(F)(F)F.NCCCOc1ccc(CNc2nc3ccc(Oc4ccc(F)cc4)cc3s2)cc1

InChI Key: InChIKey=KTOYNSAVAZBBAV-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 = 50461298   

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 T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50461298 (CHEMBL4228579) Show SMILES OC(=O)C(F)(F)F.NCCCOc1ccc(CNc2nc3ccc(Oc4ccc(F)cc4)cc3s2)cc1 Show InChI InChI=1S/C23H22FN3O2S/c24-17-4-8-19(9-5-17)29-20-10-11-21-22(14-20)30-23(27-21)26-15-16-2-6-18(7-3-16)28-13-1-12-25/h2-11,14H,1,12-13,15,25H2,(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.88E+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
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))	BDBM50461298 (CHEMBL4228579) Show SMILES OC(=O)C(F)(F)F.NCCCOc1ccc(CNc2nc3ccc(Oc4ccc(F)cc4)cc3s2)cc1 Show InChI InChI=1S/C23H22FN3O2S/c24-17-4-8-19(9-5-17)29-20-10-11-21-22(14-20)30-23(27-21)26-15-16-2-6-18(7-3-16)28-13-1-12-25/h2-11,14H,1,12-13,15,25H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+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