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PubMed code 26277760

Compile data set for download or QSAR
Found 5 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
17-beta-hydroxysteroid dehydrogenase type 3


(Rattus norvegicus)		BDBM50350421
PNG
(CHEMBL1813731)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1)S(=O)(=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C33H47F3N2O4S/c1-21-19-38(43(41,42)28-8-6-5-7-27(28)33(34,35)36)22(2)18-37(21)20-32(40)16-15-30(3)23(17-32)9-10-24-25-11-12-29(39)31(25,4)14-13-26(24)30/h5-8,21-26,40H,9-20H2,1-4H3/t21-,22+,23+,24+,25+,26+,30+,31+,32-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



CHU de Qu£bec-Research Center (CHUL)

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in rat testes microsomes using [14C]-4-androstene-3,17-dione as substrate after 2 hrs

Bioorg Med Chem 23: 5433-51 (2015)


Article DOI: 10.1016/j.bmc.2015.07.049
BindingDB Entry DOI: 10.7270/Q20C4XHT
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Rattus norvegicus)		BDBM50111763
PNG
(CHEMBL3605211)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@]3(CC[C@]12C)CN(CC(=O)O3)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H34N4O9/c1-12(2)13-3-5-14(6-4-13)22(34)27-11-18(38-24-21(33)20(32)17(10-26)37-24)16-9-15(30)23(36-16)29-8-7-19(31)28-25(29)35/h3-8,12,15-18,20-21,23-24,30,32-33H,9-11,26H2,1-2H3,(H,27,34)(H,28,31,35)/t15-,16+,17-,18+,20-,21-,23-,24+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



CHU de Qu£bec-Research Center (CHUL)

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in rat testes microsomes using [14C]-4-androstene-3,17-dione as substrate after 2 hrs

Bioorg Med Chem 23: 5433-51 (2015)


Article DOI: 10.1016/j.bmc.2015.07.049
BindingDB Entry DOI: 10.7270/Q20C4XHT
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Rattus norvegicus)		BDBM50111764
PNG
(CHEMBL3605212)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@]3(CC[C@]12C)CN(CC(=O)O3)C(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H35N5O9/c23-10-14-18(31)19(32)21(35-14)36-15(11-24-5-2-7-26-6-1-3-17(26)30)13-9-12(28)20(34-13)27-8-4-16(29)25-22(27)33/h4,8,12-15,18-21,24,28,31-32H,1-3,5-7,9-11,23H2,(H,25,29,33)/t12-,13+,14-,15+,18-,19-,20-,21+/m1/s1
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n/an/a 88n/an/an/an/an/an/a



CHU de Qu£bec-Research Center (CHUL)

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in rat testes microsomes using [14C]-4-androstene-3,17-dione as substrate after 2 hrs

Bioorg Med Chem 23: 5433-51 (2015)


Article DOI: 10.1016/j.bmc.2015.07.049
BindingDB Entry DOI: 10.7270/Q20C4XHT
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Rattus norvegicus)		BDBM17639
PNG
((1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethylt...)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
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PubMed
n/an/a 90n/an/an/an/an/an/a



CHU de Qu£bec-Research Center (CHUL)

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in rat testes microsomes using [14C]-4-androstene-3,17-dione as substrate after 2 hrs

Bioorg Med Chem 23: 5433-51 (2015)


Article DOI: 10.1016/j.bmc.2015.07.049
BindingDB Entry DOI: 10.7270/Q20C4XHT
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Rattus norvegicus)		BDBM91713
PNG
(Androst-4-en-3,17-dione, 2 | Androst-4-ene-3,17-di...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O |t:8|
Show InChI InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
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PubMed
n/an/a 169n/an/an/an/an/an/a



CHU de Qu£bec-Research Center (CHUL)

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in rat testes microsomes using [14C]-4-androstene-3,17-dione as substrate after 2 hrs

Bioorg Med Chem 23: 5433-51 (2015)


Article DOI: 10.1016/j.bmc.2015.07.049
BindingDB Entry DOI: 10.7270/Q20C4XHT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%