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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 = 'BDBM50280077'   
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)
BDBM50280077
PNG
(CHEMBL18988 | sec-Butyl-[4-(2,4-dimethoxy-phenyl)-...)
Show SMILES CCC(C)NCc1ccc2C(Sc3ccccc3-n12)c1ccc(OC)cc1OC
Show InChI InChI=1S/C24H28N2O2S/c1-5-16(2)25-15-17-10-13-21-24(19-12-11-18(27-3)14-22(19)28-4)29-23-9-7-6-8-20(23)26(17)21/h6-14,16,24-25H,5,15H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
5.60n/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)
BDBM50280077
PNG
(CHEMBL18988 | sec-Butyl-[4-(2,4-dimethoxy-phenyl)-...)
Show SMILES CCC(C)NCc1ccc2C(Sc3ccccc3-n12)c1ccc(OC)cc1OC
Show InChI InChI=1S/C24H28N2O2S/c1-5-16(2)25-15-17-10-13-21-24(19-12-11-18(27-3)14-22(19)28-4)29-23-9-7-6-8-20(23)26(17)21/h6-14,16,24-25H,5,15H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 15n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair