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PubMed code 1732516

Compile data set for download or QSAR
Found 6 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
7-dehydrocholesterol reductase


(Rattus norvegicus)
BDBM50406621
PNG
(CHEMBL9820)
Show SMILES C[C@H](CC[S+](C)C(C)C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C27H47OS/c1-18(2)29(6)16-13-19(3)23-9-10-24-22-8-7-20-17-21(28)11-14-26(20,4)25(22)12-15-27(23,24)5/h7,18-19,21-25,28H,8-17H2,1-6H3/q+1/t19-,21+,22?,23?,24?,25?,26+,27-,29?/m1/s1
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PubMed
4n/an/an/an/an/an/an/an/a



Smith Kline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Delta-(24)-sterol reductase


Citation and Details
More data for this
Ligand-Target Pair
7-dehydrocholesterol reductase


(Rattus norvegicus)
BDBM50406617
PNG
(CHEMBL276388)
Show SMILES C[C@H](CCC(N)=N)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
Show InChI InChI=1S/C27H46N2O/c1-17(7-10-23(28)29)18-11-15-27(6)20-8-9-21-24(2,3)22(30)13-14-25(21,4)19(20)12-16-26(18,27)5/h17-18,21-22,30H,7-16H2,1-6H3,(H3,28,29)/t17-,18?,21?,22+,25-,26-,27+/m1/s1
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7n/an/an/an/an/an/an/an/a



Smith Kline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Delta-(24)-sterol reductase


Citation and Details
More data for this
Ligand-Target Pair
7-dehydrocholesterol reductase


(Rattus norvegicus)
BDBM50406618
PNG
(CHEMBL9875)
Show SMILES C[C@H](CCC(N)=[N+](C)C)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
Show InChI InChI=1S/C29H50N2O/c1-19(9-12-25(30)31(7)8)20-13-17-29(6)22-10-11-23-26(2,3)24(32)15-16-27(23,4)21(22)14-18-28(20,29)5/h19-20,23-24,30,32H,9-18H2,1-8H3/p+1/t19-,20?,23?,24+,27-,28-,29+/m1/s1
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12n/an/an/an/an/an/an/an/a



Smith Kline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of delta24-sterol reductase


Citation and Details
More data for this
Ligand-Target Pair
7-dehydrocholesterol reductase


(Rattus norvegicus)
BDBM50406620
PNG
(CHEMBL9864)
Show SMILES C[C@H](CCc1ncc[nH]1)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
Show InChI InChI=1S/C29H46N2O/c1-19(7-10-25-30-17-18-31-25)20-11-15-29(6)22-8-9-23-26(2,3)24(32)13-14-27(23,4)21(22)12-16-28(20,29)5/h17-20,23-24,32H,7-16H2,1-6H3,(H,30,31)/t19-,20?,23?,24+,27-,28-,29+/m1/s1
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33n/an/an/an/an/an/an/an/a



Smith Kline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of delta24-sterol reductase


Citation and Details
More data for this
Ligand-Target Pair
7-dehydrocholesterol reductase


(Rattus norvegicus)
BDBM50406616
PNG
(CHEMBL268041)
Show SMILES C[C@H](CCc1nccn1C)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
Show InChI InChI=1S/C30H48N2O/c1-20(8-11-26-31-18-19-32(26)7)21-12-16-30(6)23-9-10-24-27(2,3)25(33)14-15-28(24,4)22(23)13-17-29(21,30)5/h18-21,24-25,33H,8-17H2,1-7H3/t20-,21?,24?,25+,28-,29-,30+/m1/s1
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48n/an/an/an/an/an/an/an/a



Smith Kline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of delta24-sterol reductase


Citation and Details
More data for this
Ligand-Target Pair
7-dehydrocholesterol reductase


(Rattus norvegicus)
BDBM50406619
PNG
(CHEMBL9808)
Show SMILES CC(C)SCC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C26H44OS/c1-17(2)28-15-12-18(3)22-8-9-23-21-7-6-19-16-20(27)10-13-25(19,4)24(21)11-14-26(22,23)5/h6,17-18,20-24,27H,7-16H2,1-5H3/t18-,20+,21?,22?,23?,24?,25+,26-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Smith Kline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Delta-(24)-sterol reductase


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%