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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for UniProtKB: P08799   
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
Myosin-2 heavy chain


(Dictyostelium discoideum)
BDBM50449473
PNG
(CHEMBL4165503)
Show SMILES Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccc(Cl)cc1 |r,t:5|
Show InChI InChI=1S/C18H15ClN2O2/c1-11-2-7-15-14(10-11)16(22)18(23)8-9-21(17(18)20-15)13-5-3-12(19)4-6-13/h2-7,10,23H,8-9H2,1H3/t18-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of Dictyostelium discoideum myosin 2 ATPase activity


J Med Chem 61: 9410-9428 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00503
BindingDB Entry DOI: 10.7270/Q2TX3HXT
More data for this
Ligand-Target Pair
Myosin-2 heavy chain


(Dictyostelium discoideum)
BDBM50449475
PNG
(CHEMBL4162111)
Show SMILES Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccc(cc1)[N+]([O-])=O |r,t:5|
Show InChI InChI=1S/C18H15N3O4/c1-11-2-7-15-14(10-11)16(22)18(23)8-9-20(17(18)19-15)12-3-5-13(6-4-12)21(24)25/h2-7,10,23H,8-9H2,1H3/t18-/m1/s1
PDB

UniProtKB/SwissProt

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



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of Dictyostelium discoideum myosin 2 ATPase activity by NADH-coupled assay


J Med Chem 61: 9410-9428 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00503
BindingDB Entry DOI: 10.7270/Q2TX3HXT
More data for this
Ligand-Target Pair
Myosin-2 heavy chain


(Dictyostelium discoideum)
BDBM50449472
PNG
(CHEBI:75379 | CHEMBL1328324)
Show SMILES Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 |t:5|
Show InChI InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of RLC-phosphorylated Dictyostelium discoideum myosin 2 ATPase activity by NADH-coupled spectrophotometric analysis


J Med Chem 61: 9410-9428 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00503
BindingDB Entry DOI: 10.7270/Q2TX3HXT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Myosin-2 heavy chain


(Dictyostelium discoideum)
BDBM50449474
PNG
(CHEMBL4166562)
Show SMILES Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccc(cc1)N=[N+]=[N-] |r,t:5|
Show InChI InChI=1S/C18H15N5O2/c1-11-2-7-15-14(10-11)16(24)18(25)8-9-23(17(18)20-15)13-5-3-12(4-6-13)21-22-19/h2-7,10,25H,8-9H2,1H3/t18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of Dictyostelium discoideum myosin 2 ATPase activity by NADH-coupled assay


J Med Chem 61: 9410-9428 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00503
BindingDB Entry DOI: 10.7270/Q2TX3HXT
More data for this
Ligand-Target Pair