Found 6 hits of kd for UniProtKB: E3SW77 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
p450 sterol 14-alpha-demethylase
(Penicillium digitatum) | BDBM50488576
(CHEMBL2289210)Show SMILES CC(=O)CC1N(C(=Nc2ccccc12)n1ccnc1)c1ccc(F)cc1 |c:6| Show InChI InChI=1S/C20H17FN4O/c1-14(26)12-19-17-4-2-3-5-18(17)23-20(24-11-10-22-13-24)25(19)16-8-6-15(21)7-9-16/h2-11,13,19H,12H2,1H3 | MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 975 | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description
Binding affinity to Penicillium digitatum CYP51 |
J Agric Food Chem 61: 1419-26 (2013)
Article DOI: 10.1021/jf305355u
BindingDB Entry DOI: 10.7270/Q2PC358D |
More data for this
Ligand-Target Pair | |
p450 sterol 14-alpha-demethylase
(Penicillium digitatum) | BDBM50295561
(1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triaz...)Show InChI InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3 | MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description
Binding affinity to Penicillium digitatum CYP51 |
J Agric Food Chem 61: 1419-26 (2013)
Article DOI: 10.1021/jf305355u
BindingDB Entry DOI: 10.7270/Q2PC358D |
More data for this
Ligand-Target Pair | |
p450 sterol 14-alpha-demethylase
(Penicillium digitatum) | BDBM50488575
(CHEMBL2289214)Show SMILES CC(=O)CC1N(C(=Nc2ccc(Cl)cc12)n1ccnc1)c1ccc(F)cc1 |c:6| Show InChI InChI=1S/C20H16ClFN4O/c1-13(27)10-19-17-11-14(21)2-7-18(17)24-20(25-9-8-23-12-25)26(19)16-5-3-15(22)4-6-16/h2-9,11-12,19H,10H2,1H3 | MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description
Binding affinity to Penicillium digitatum CYP51 |
J Agric Food Chem 61: 1419-26 (2013)
Article DOI: 10.1021/jf305355u
BindingDB Entry DOI: 10.7270/Q2PC358D |
More data for this
Ligand-Target Pair | |
p450 sterol 14-alpha-demethylase
(Penicillium digitatum) | BDBM50488577
(CHEMBL2289209)Show SMILES CC(=O)CC1N(C(=Nc2ccccc12)n1ccnc1)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C20H17ClN4O/c1-14(26)12-19-17-4-2-3-5-18(17)23-20(24-11-10-22-13-24)25(19)16-8-6-15(21)7-9-16/h2-11,13,19H,12H2,1H3 | MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.01E+3 | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description
Binding affinity to Penicillium digitatum CYP51 |
J Agric Food Chem 61: 1419-26 (2013)
Article DOI: 10.1021/jf305355u
BindingDB Entry DOI: 10.7270/Q2PC358D |
More data for this
Ligand-Target Pair | |
p450 sterol 14-alpha-demethylase
(Penicillium digitatum) | BDBM50488579
(CHEMBL2289213)Show SMILES CCC(=O)CC1N(C(=Nc2ccccc12)n1ccnc1)c1ccc(F)cc1 |c:7| Show InChI InChI=1S/C21H19FN4O/c1-2-17(27)13-20-18-5-3-4-6-19(18)24-21(25-12-11-23-14-25)26(20)16-9-7-15(22)8-10-16/h3-12,14,20H,2,13H2,1H3 | MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.96E+3 | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description
Binding affinity to Penicillium digitatum CYP51 |
J Agric Food Chem 61: 1419-26 (2013)
Article DOI: 10.1021/jf305355u
BindingDB Entry DOI: 10.7270/Q2PC358D |
More data for this
Ligand-Target Pair | |
p450 sterol 14-alpha-demethylase
(Penicillium digitatum) | BDBM50488578
(CHEMBL2289208)Show InChI InChI=1S/C18H22N4O/c1-3-4-10-22-17(12-14(2)23)15-7-5-6-8-16(15)20-18(22)21-11-9-19-13-21/h5-9,11,13,17H,3-4,10,12H2,1-2H3 | MMDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.32E+4 | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description
Binding affinity to Penicillium digitatum CYP51 |
J Agric Food Chem 61: 1419-26 (2013)
Article DOI: 10.1021/jf305355u
BindingDB Entry DOI: 10.7270/Q2PC358D |
More data for this
Ligand-Target Pair | |
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