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PubMed code 31999455

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
T-type calcium channel alpha 1G subunit


(Mus musculus)
BDBM50514577
PNG
(CHEMBL3581591)
Show SMILES [H][C@@]1([#6]-[#6@H](-[#6]-[#6][C@@]1([#6])[#8])-[#6](-[#6])=[#6])[#6]-1=[#6](-[#8])C([#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-[#6](-[#6])-[#6]-[#6])=[#6]-1-[#8] |r,c:13,35|
Show InChI InChI=1S/C31H46O5/c1-10-21(8)26(32)25-27(33)24(23-17-22(20(6)7)13-14-30(23,9)36)28(34)31(29(25)35,15-11-18(2)3)16-12-19(4)5/h11-12,21-23,33-34,36H,6,10,13-17H2,1-5,7-9H3/t21?,22-,23+,30+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at mouse Cav3.1 expressed in HEK293T cells assessed as inhibition of current amplitude at holding potential of -100 mV by whole c...


J Med Chem 63: 1709-1716 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02056
BindingDB Entry DOI: 10.7270/Q24171DN
More data for this
Ligand-Target Pair
T-type calcium channel alpha 1G subunit


(Mus musculus)
BDBM50514578
PNG
(CHEMBL4464354)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]C1([#6]\[#6]=[#6](\[#6])-[#6])[#6](-[#8])=[#6](-[#6@H]2-[#6]-[#6@H](-[#6]-[#6][C@@]2([#6])[#8])-[#6](-[#6])=[#6])-[#6](-[#8])=[#6](-[#6](=O)-c2ccccc2)-[#6]1=O |r,t:12,27|
Show InChI InChI=1S/C33H42O5/c1-20(2)13-17-33(18-14-21(3)4)30(36)26(25-19-24(22(5)6)15-16-32(25,7)38)29(35)27(31(33)37)28(34)23-11-9-8-10-12-23/h8-14,24-25,35-36,38H,5,15-19H2,1-4,6-7H3/t24-,25+,32+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at mouse Cav3.1 expressed in HEK293T cells assessed as inhibition of current amplitude at holding potential of -100 mV by whole c...


J Med Chem 63: 1709-1716 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02056
BindingDB Entry DOI: 10.7270/Q24171DN
More data for this
Ligand-Target Pair
T-type calcium channel alpha 1G subunit


(Mus musculus)
BDBM50090184
PNG
(CHEMBL3581573)
Show SMILES [H][C@@]1([#6]-[#6@H](-[#6]-[#6][C@@]1([#6])[#8])-[#6](-[#6])=[#6])[#6]-1=[#6](-[#8])C([#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-[#6](-[#6])-[#6])=[#6]-1-[#8] |r,c:13,34|
Show InChI InChI=1S/C30H44O5/c1-17(2)10-14-30(15-11-18(3)4)27(33)23(26(32)24(28(30)34)25(31)20(7)8)22-16-21(19(5)6)12-13-29(22,9)35/h10-11,20-22,32-33,35H,5,12-16H2,1-4,6-9H3/t21-,22+,29+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at mouse Cav3.1 expressed in HEK293T cells assessed as inhibition of current amplitude at holding potential of -100 mV by whole c...


J Med Chem 63: 1709-1716 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02056
BindingDB Entry DOI: 10.7270/Q24171DN
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50514580
PNG
(CHEMBL4455355)
Show SMILES CC(C)C1=C\C(OC1=O)=C1/C(=O)C=C2[C@]1(C)CCCC2(C)C |r,c:13,t:3|
Show InChI InChI=1S/C19H24O3/c1-11(2)12-9-14(22-17(12)21)16-13(20)10-15-18(3,4)7-6-8-19(15,16)5/h9-11H,6-8H2,1-5H3/b16-14-/t19-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.25E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at Cav3.1 (unknown origin) expressed in HEK293T cells assessed as increase in current amplitude at holding potential of -100 mV by w...


J Med Chem 63: 1709-1716 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02056
BindingDB Entry DOI: 10.7270/Q24171DN
More data for this
Ligand-Target Pair
T-type calcium channel alpha 1G subunit


(Mus musculus)
BDBM50514579
PNG
(CHEMBL4575063)
Show SMILES [H][C@@]12[#6][C@@]3([H])[C@@]([#6])([#6]-[#6]1)[#8]-[#6]1=[#6](-[#6](=O)-c4ccccc4)-[#6](=O)C([#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)[C@]31C2([#6])[#6] |r,c:11|
Show InChI InChI=1S/C33H40O4/c1-20(2)13-17-32(18-14-21(3)4)27(35)25(26(34)22-11-9-8-10-12-22)28-33(29(32)36)24-19-23(30(33,5)6)15-16-31(24,7)37-28/h8-14,23-24H,15-19H2,1-7H3/t23-,24-,31+,33-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.80E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at mouse Cav3.1 expressed in HEK293T cells assessed as increase in current amplitude at holding potential of -100 mV by whole cell e...


J Med Chem 63: 1709-1716 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02056
BindingDB Entry DOI: 10.7270/Q24171DN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%