BindingDB logo
myBDB logout

BDBM246343 US9434693, 38

SMILES: COc1ccccc1-n1nc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)cc1-c1ccc(Cl)cc1

InChI Key: InChIKey=CQCHOVDIAHVBMQ-ZPKIESPOSA-N

Data: 1 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 1 hit for monomerid = 246343   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM246343
PNG
(US9434693, 38)
Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)cc1-c1ccc(Cl)cc1 |r,wU:17.18,(2.27,6.3,;1.5,4.97,;-.04,4.97,;-.81,6.3,;-2.35,6.3,;-3.12,4.97,;-2.35,3.63,;-.81,3.63,;-.04,2.3,;-.95,1.05,;-.04,-.19,;-.44,-1.68,;-1.78,-2.45,;-3.11,-1.68,;-4.44,-2.45,;-5.78,-1.68,;-5.21,-1.12,;-4.44,-3.99,;-5.78,-4.76,;-3.11,-4.76,;-3.11,-6.3,;-1.78,-5.53,;-1.78,-3.99,;1.42,.28,;1.42,1.82,;2.51,2.91,;4,2.51,;5.09,3.6,;4.69,5.09,;5.78,6.18,;3.2,5.49,;2.11,4.4,)|
Show InChI InChI=1S/C25H29ClN2O3S/c1-24(2)15-19(16-25(3,4)32(24)29)31-23-14-21(17-10-12-18(26)13-11-17)28(27-23)20-8-6-7-9-22(20)30-5/h6-14,19H,15-16H2,1-5H3/t19?,32-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence...

US Patent US9434693 (2016)


BindingDB Entry DOI: 10.7270/Q29S1PZJ
More data for this
Ligand-Target Pair