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Compile Data Set for Download or QSAR

Found 11 hits of ki for UniProtKB: P24964   
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
Cytochrome b


(Sus scrofa)
BDBM50487138
PNG
(CHEMBL2251795)
Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1cc(Cl)ccc1O
Show InChI InChI=1S/C22H21ClN2O5/c1-25-21(11-19(24-25)17-10-15(23)8-9-20(17)26)30-12-14-6-4-5-7-16(14)18(13-28-2)22(27)29-3/h4-11,13,26H,12H2,1-3H3/b18-13+
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0.570n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487139
PNG
(CHEMBL2251793)
Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1O
Show InChI InChI=1S/C22H22N2O5/c1-24-21(12-19(23-24)17-10-6-7-11-20(17)25)29-13-15-8-4-5-9-16(15)18(14-27-2)22(26)28-3/h4-12,14,25H,13H2,1-3H3/b18-14+
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1.20n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487144
PNG
(CHEMBL2251794)
Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1cc(C)ccc1O
Show InChI InChI=1S/C23H24N2O5/c1-15-9-10-21(26)18(11-15)20-12-22(25(2)24-20)30-13-16-7-5-6-8-17(16)19(14-28-3)23(27)29-4/h5-12,14,26H,13H2,1-4H3/b19-14+
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3.10n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487137
PNG
(CHEBI:78780 | DNDI1724943 | PYRACLOSTROBIN)
Show SMILES CON(C(=O)OC)c1ccccc1COc1ccn(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3
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3.30n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487146
PNG
(CHEMBL2251796)
Show SMILES CO\N=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1O
Show InChI InChI=1S/C21H21N3O5/c1-24-19(12-17(22-24)16-10-6-7-11-18(16)25)29-13-14-8-4-5-9-15(14)20(23-28-3)21(26)27-2/h4-12,25H,13H2,1-3H3/b23-20+
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3.80n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487145
PNG
(CHEMBL2251799)
Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C29H28N2O5/c1-31-28(36-19-22-13-7-8-14-23(22)25(20-33-2)29(32)34-3)17-26(30-31)24-15-9-10-16-27(24)35-18-21-11-5-4-6-12-21/h4-17,20H,18-19H2,1-3H3/b25-20+
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13n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487142
PNG
(CHEMBL2251798)
Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1cc(C)ccc1OC
Show InChI InChI=1S/C24H26N2O5/c1-16-10-11-22(29-4)19(12-16)21-13-23(26(2)25-21)31-14-17-8-6-7-9-18(17)20(15-28-3)24(27)30-5/h6-13,15H,14H2,1-5H3/b20-15+
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20n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487143
PNG
(CHEMBL2251797)
Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1OC
Show InChI InChI=1S/C23H24N2O5/c1-25-22(13-20(24-25)18-11-7-8-12-21(18)28-3)30-14-16-9-5-6-10-17(16)19(15-27-2)23(26)29-4/h5-13,15H,14H2,1-4H3/b19-15+
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29n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487141
PNG
(CHEMBL2251800)
Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1OC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H25FN2O6/c1-32-27(37-17-20-8-4-5-9-22(20)24(18-35-2)29(34)36-3)16-25(31-32)23-10-6-7-11-26(23)38-28(33)19-12-14-21(30)15-13-19/h4-16,18H,17H2,1-3H3/b24-18+
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98n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487140
PNG
(CHEBI:2962 | Kresoxim-Methyl)
Show SMILES CO\N=C(\C(=O)OC)c1ccccc1COc1ccccc1C
Show InChI InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+
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160n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
Cytochrome b


(Sus scrofa)
BDBM50487147
PNG
(AZOXYSTROBIN | CHEBI:40909 | DNDI1511705 | TCMDC-1...)
Show SMILES CO\C=C(\C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1
Show InChI InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
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298n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis


J Am Chem Soc 132: 185-94 (2010)


Article DOI: 10.1021/ja905756c
BindingDB Entry DOI: 10.7270/Q27W6G35
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)