BDBM163549 US9688615, 3

SMILES: CC(C)(C)NC(=O)Cn1c(CC2CNC2)nc2c(cc(cc12)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=VILKBDDCFPGISP-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 163549   

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))	BDBM163549 (US9688615, 3) Show SMILES CC(C)(C)NC(=O)Cn1c(CC2CNC2)nc2c(cc(cc12)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H22F6N4O/c1-17(2,3)28-15(30)9-29-13-6-11(18(20,21)22)5-12(19(23,24)25)16(13)27-14(29)4-10-7-26-8-10/h5-6,10,26H,4,7-9H2,1-3H3,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Cells were plated in 384-well, clear-bottom, black-walled, poly-D-lysine coated plates (Becton Dickinson, Franklin Lake, N.J.) 2 days prior to use in...				US Patent US9688615 (2017) BindingDB Entry DOI: 10.7270/Q27S7KXH
					More data for this Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human))	BDBM163549 (US9688615, 3) Show SMILES CC(C)(C)NC(=O)Cn1c(CC2CNC2)nc2c(cc(cc12)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H22F6N4O/c1-17(2,3)28-15(30)9-29-13-6-11(18(20,21)22)5-12(19(23,24)25)16(13)27-14(29)4-10-7-26-8-10/h5-6,10,26H,4,7-9H2,1-3H3,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Cells were plated in 384-well, clear-bottom, black-walled, poly-D-lysine coated plates (Becton Dickinson, Franklin Lake, N.J.) 2 days prior to use in...				US Patent US9688615 (2017) BindingDB Entry DOI: 10.7270/Q27S7KXH
					More data for this Ligand-Target Pair
Voltage-gated T-type calcium channel (Homo sapiens (Human))	BDBM163549 (US9688615, 3) Show SMILES CC(C)(C)NC(=O)Cn1c(CC2CNC2)nc2c(cc(cc12)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H22F6N4O/c1-17(2,3)28-15(30)9-29-13-6-11(18(20,21)22)5-12(19(23,24)25)16(13)27-14(29)4-10-7-26-8-10/h5-6,10,26H,4,7-9H2,1-3H3,(H,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Cells were plated in 384-well, clear-bottom, black-walled, poly-D-lysine coated plates (Becton Dickinson, Franklin Lake, N.J.) 2 days prior to use in...				US Patent US9688615 (2017) BindingDB Entry DOI: 10.7270/Q27S7KXH
					More data for this Ligand-Target Pair
Calcium channel (Type L) (Homo sapiens (Human))	BDBM163549 (US9688615, 3) Show SMILES CC(C)(C)NC(=O)Cn1c(CC2CNC2)nc2c(cc(cc12)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H22F6N4O/c1-17(2,3)28-15(30)9-29-13-6-11(18(20,21)22)5-12(19(23,24)25)16(13)27-14(29)4-10-7-26-8-10/h5-6,10,26H,4,7-9H2,1-3H3,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.4	n/a
SRMLSC US Patent					Assay Description To assess the potential cardiac liability of compounds at an early stage in the drug discovery process, a Nav1.5 sodium channel screening assay was b...				US Patent US9688615 (2017) BindingDB Entry DOI: 10.7270/Q27S7KXH
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM163549 (US9688615, 3) Show SMILES CC(C)(C)NC(=O)Cn1c(CC2CNC2)nc2c(cc(cc12)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H22F6N4O/c1-17(2,3)28-15(30)9-29-13-6-11(18(20,21)22)5-12(19(23,24)25)16(13)27-14(29)4-10-7-26-8-10/h5-6,10,26H,4,7-9H2,1-3H3,(H,28,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Cells were plated in 384-well, clear-bottom, black-walled, poly-D-lysine coated plates (Becton Dickinson, Franklin Lake, N.J.) 2 days prior to use in...				US Patent US9688615 (2017) BindingDB Entry DOI: 10.7270/Q27S7KXH
					More data for this Ligand-Target Pair
Calcium channel (Type L) (Homo sapiens (Human))	BDBM163549 (US9688615, 3) Show SMILES CC(C)(C)NC(=O)Cn1c(CC2CNC2)nc2c(cc(cc12)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H22F6N4O/c1-17(2,3)28-15(30)9-29-13-6-11(18(20,21)22)5-12(19(23,24)25)16(13)27-14(29)4-10-7-26-8-10/h5-6,10,26H,4,7-9H2,1-3H3,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.4	n/a
SRMLSC US Patent					Assay Description To assess the potential cardiac liability of compounds at an early stage in the drug discovery process, a Nav1.5 sodium channel screening assay was b...				US Patent US9688615 (2017) BindingDB Entry DOI: 10.7270/Q27S7KXH
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM163549 (US9688615, 3) Show SMILES CC(C)(C)NC(=O)Cn1c(CC2CNC2)nc2c(cc(cc12)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H22F6N4O/c1-17(2,3)28-15(30)9-29-13-6-11(18(20,21)22)5-12(19(23,24)25)16(13)27-14(29)4-10-7-26-8-10/h5-6,10,26H,4,7-9H2,1-3H3,(H,28,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC US Patent					Assay Description Cells were plated in 384-well, clear-bottom, black-walled, poly-D-lysine coated plates (Becton Dickinson, Franklin Lake, N.J.) 2 days prior to use in...				US Patent US9688615 (2017) BindingDB Entry DOI: 10.7270/Q27S7KXH
					More data for this Ligand-Target Pair