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2 similar compounds to monomer 50406621

Compile data set for download or QSAR
Wt: 332.5
BDBM50094193		Wt: 404.6
BDBM50406619

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50094193,50406619   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
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



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


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

J Med Chem 35: 100-6 (1992)


Article DOI: 10.1021/jm00079a012
BindingDB Entry DOI: 10.7270/Q2C82BHD
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))		BDBM50094193
PNG
((R)-10,13-Dimethyl-17-thiiranyl-2,3,4,7,8,9,10,11,...)
Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C1CS1
Show InChI InChI=1S/C21H32OS/c1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(19-12-23-19)21(16,2)10-8-17(15)20/h3,14-19,22H,4-12H2,1-2H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes

J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))		BDBM50094193
PNG
((R)-10,13-Dimethyl-17-thiiranyl-2,3,4,7,8,9,10,11,...)
Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C1CS1
Show InChI InChI=1S/C21H32OS/c1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(19-12-23-19)21(16,2)10-8-17(15)20/h3,14-19,22H,4-12H2,1-2H3
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n/an/a>1.25E+5n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes

J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))		BDBM50094193
PNG
((R)-10,13-Dimethyl-17-thiiranyl-2,3,4,7,8,9,10,11,...)
Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C1CS1
Show InChI InChI=1S/C21H32OS/c1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(19-12-23-19)21(16,2)10-8-17(15)20/h3,14-19,22H,4-12H2,1-2H3
PDB

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n/an/a 1.80E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes

J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair