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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Sterol-C5-desaturase' AND taxid = 5476   
Target
(Institution)
LigandTarget
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
Sterol-C5-desaturase


(Candida albicans)
BDBM50055269
PNG
((4S,4aS,6S,8aR)-8a-Methyl-1,2,4,4a,5,6,7,8,8a,8b-d...)
Show SMILES C[C@]12CC[C@H](O)C[C@@H]1[C@@H](O)C=C1CCC21
Show InChI InChI=1S/C13H20O2/c1-13-5-4-9(14)7-11(13)12(15)6-8-2-3-10(8)13/h6,9-12,14-15H,2-5,7H2,1H3/t9-,10?,11+,12-,13+/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4.70E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 5-Desaturase involved in ergosterol biosynthesis


Citation and Details
More data for this
Ligand-Target Pair
Sterol-C5-desaturase


(Candida albicans)
BDBM50055279
PNG
(4Alpha,5-Epoxy-7,22(E)-ergostadiem-3Beta-ol | CHEM...)
Show SMILES C[C@]12CC[C@H](O)[C@H]3O[C@@]13CC=C1CCC21
Show InChI InChI=1S/C13H18O2/c1-12-6-5-10(14)11-13(12,15-11)7-4-8-2-3-9(8)12/h4,9-11,14H,2-3,5-7H2,1H3/t9?,10-,11+,12+,13+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 6.60E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 5-Desaturase involved in ergosterol biosynthesis


Citation and Details
More data for this
Ligand-Target Pair
Sterol-C5-desaturase


(Candida albicans)
BDBM50055275
PNG
((4aR,6S,8aR)-4a-Mercapto-8a-methyl-1,2,4,4a,5,6,7,...)
Show SMILES C[C@]12CC[C@H](O)C[C@]1(S)CC=C1CCC21
Show InChI InChI=1S/C13H20OS/c1-12-6-5-10(14)8-13(12,15)7-4-9-2-3-11(9)12/h4,10-11,14-15H,2-3,5-8H2,1H3/t10-,11?,12+,13+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 5-Desaturase involved in ergosterol biosynthesis


Citation and Details
More data for this
Ligand-Target Pair
Sterol-C5-desaturase


(Candida albicans)
BDBM50055272
PNG
((4R,4aR,6S,8aR)-8a-Methyl-2,4,5,6,7,8,8a,8b-octahy...)
Show SMILES C[C@]12CC[C@H](O)C[C@]1(O)[C@H](O)C=C1CCC21
Show InChI InChI=1S/C13H20O3/c1-12-5-4-9(14)7-13(12,16)11(15)6-8-2-3-10(8)12/h6,9-11,14-16H,2-5,7H2,1H3/t9-,10?,11+,12+,13-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 9.60E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 5-Desaturase involved in ergosterol biosynthesis


Citation and Details
More data for this
Ligand-Target Pair
Sterol-C5-desaturase


(Candida albicans)
BDBM50055268
PNG
((4aR,6S,8aR)-6-Hydroxy-8a-methyl-2,4,5,6,7,8,8a,8b...)
Show SMILES C[C@]12CC[C@H](O)C[C@@]1(CC=C1CCC21)C(O)=O
Show InChI InChI=1S/C14H20O3/c1-13-6-5-10(15)8-14(13,12(16)17)7-4-9-2-3-11(9)13/h4,10-11,15H,2-3,5-8H2,1H3,(H,16,17)/t10-,11?,13+,14-/m0/s1
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.11E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 5-Desaturase involved in ergosterol biosynthesis


Citation and Details
More data for this
Ligand-Target Pair
Sterol-C5-desaturase


(Candida albicans)
BDBM50055271
PNG
((4aR,6S,8aR)-4a-Hydroxymethyl-8a-methyl-1,2,4,4a,5...)
Show SMILES C[C@]12CC[C@H](O)C[C@]1(CO)CC=C1CCC21
Show InChI InChI=1S/C14H22O2/c1-13-6-5-11(16)8-14(13,9-15)7-4-10-2-3-12(10)13/h4,11-12,15-16H,2-3,5-9H2,1H3/t11-,12?,13+,14-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.12E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 5-Desaturase involved in ergosterol biosynthesis


Citation and Details
More data for this
Ligand-Target Pair
Sterol-C5-desaturase


(Candida albicans)
BDBM50055276
PNG
((4aR,6S,8aR)-6-Hydroxy-8a-methyl-2,4,5,6,7,8,8a,8b...)
Show SMILES C[C@]12CC[C@H](O)C[C@@]1(CC=C1CCC21)C(N)=O
Show InChI InChI=1S/C14H21NO2/c1-13-6-5-10(16)8-14(13,12(15)17)7-4-9-2-3-11(9)13/h4,10-11,16H,2-3,5-8H2,1H3,(H2,15,17)/t10-,11?,13+,14-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.14E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 5-Desaturase involved in ergosterol biosynthesis


Citation and Details
More data for this
Ligand-Target Pair
Sterol-C5-desaturase


(Candida albicans)
BDBM50055274
PNG
((4aR,6S,8aR)-6-Hydroxy-8a-methyl-2,4,5,6,7,8,8a,8b...)
Show SMILES C[C@]12CC[C@H](O)C[C@@]1(CC=C1CCC21)C=O
Show InChI InChI=1S/C14H20O2/c1-13-6-5-11(16)8-14(13,9-15)7-4-10-2-3-12(10)13/h4,9,11-12,16H,2-3,5-8H2,1H3/t11-,12?,13+,14-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.16E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 5-Desaturase involved in ergosterol biosynthesis


Citation and Details
More data for this
Ligand-Target Pair
Sterol-C5-desaturase


(Candida albicans)
BDBM50055273
PNG
((4aR,6S,8aR)-6-Hydroxy-8a-methyl-2,4,5,6,7,8,8a,8b...)
Show SMILES C[C@]12CC[C@H](O)C[C@@]1(CC=C1CCC21)C#N
Show InChI InChI=1S/C14H19NO/c1-13-6-5-11(16)8-14(13,9-15)7-4-10-2-3-12(10)13/h4,11-12,16H,2-3,5-8H2,1H3/t11-,12?,13+,14-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.31E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 5-Desaturase involved in ergosterol biosynthesis


Citation and Details
More data for this
Ligand-Target Pair
Sterol-C5-desaturase


(Candida albicans)
BDBM50055278
PNG
((4aR,6S,8aR)-6-Hydroxy-8a-methyl-2,4,5,6,7,8,8a,8b...)
Show SMILES C[C@]12CC[C@H](O)C[C@]1(CN=O)CC=C1CCC21
Show InChI InChI=1S/C14H21NO2/c1-13-6-5-11(16)8-14(13,9-15-17)7-4-10-2-3-12(10)13/h4,11-12,16H,2-3,5-9H2,1H3/t11-,12?,13+,14-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.36E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 5-Desaturase involved in ergosterol biosynthesis


Citation and Details
More data for this
Ligand-Target Pair
Sterol-C5-desaturase


(Candida albicans)
BDBM50055277
PNG
((4aR,6S,8aR)-8a-Methyl-2,4,5,6,7,8,8a,8b-octahydro...)
Show SMILES C[C@]12CC[C@H](O)C[C@]1(O)CC=C1CCC21
Show InChI InChI=1S/C13H20O2/c1-12-6-5-10(14)8-13(12,15)7-4-9-2-3-11(9)12/h4,10-11,14-15H,2-3,5-8H2,1H3/t10-,11?,12+,13+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.48E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 5-Desaturase involved in ergosterol biosynthesis


Citation and Details
More data for this
Ligand-Target Pair
Sterol-C5-desaturase


(Candida albicans)
BDBM50055270
PNG
((4S,4aR,6S,8aR)-8a-Methyl-2,4,5,6,7,8,8a,8b-octahy...)
Show SMILES C[C@]12CC[C@H](O)C[C@]1(O)[C@@H](O)C=C1CCC21
Show InChI InChI=1S/C13H20O3/c1-12-5-4-9(14)7-13(12,16)11(15)6-8-2-3-10(8)12/h6,9-11,14-16H,2-5,7H2,1H3/t9-,10?,11-,12+,13-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.49E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 5-Desaturase involved in ergosterol biosynthesis


Citation and Details
More data for this
Ligand-Target Pair