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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Voltage-dependent L-type calcium channel subunit alpha-1S' and Ligand = 'BDBM50029417'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50029417
PNG
(CHEMBL277363 | [4-(4-Methoxy-phenyl)-4H-benzo[b]py...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)C)ccc12
Show InChI InChI=1S/C21H22N2OS/c1-22(2)14-16-10-13-19-21(15-8-11-17(24-3)12-9-15)25-20-7-5-4-6-18(20)23(16)19/h4-13,21H,14H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
0.160n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50029417
PNG
(CHEMBL277363 | [4-(4-Methoxy-phenyl)-4H-benzo[b]py...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)C)ccc12
Show InChI InChI=1S/C21H22N2OS/c1-22(2)14-16-10-13-19-21(15-8-11-17(24-3)12-9-15)25-20-7-5-4-6-18(20)23(16)19/h4-13,21H,14H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 0.420n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair