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5 similar compounds to monomer 50031874

Compile data set for download or QSAR
Wt: 460.5
BDBM50032784
Wt: 528.5
BDBM50032759
Wt: 460.5
BDBM50057478
Wt: 528.5
BDBM50057487
Wt: 528.5
BDBM50340481
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50032784,50032759,50057478,50057487,50340481   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50340481
PNG
(Avodart | CHEMBL1200969 | DUTASTERIDE | GG-745 | G...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1
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Article
PubMed
n/an/an/an/a 330n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...


J Med Chem 58: 2958-66 (2015)


Article DOI: 10.1021/jm501873p
BindingDB Entry DOI: 10.7270/Q22F7Q4V
More data for this
Ligand-Target Pair
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase


(Mycobacterium tuberculosis)
BDBM50340481
PNG
(Avodart | CHEMBL1200969 | DUTASTERIDE | GG-745 | G...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1
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n/an/a>1.50E+5n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis 3 beta hydroxysteriod dehydrogenase


Bioorg Med Chem Lett 21: 2216-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.004
BindingDB Entry DOI: 10.7270/Q2Z31ZXD
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50057478
PNG
((4aR,6aS,7S)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7...)
Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)Nc1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H31F3N2O2/c1-24-13-11-17-15(7-10-21-25(17,2)14-12-22(32)31-21)16(24)8-9-19(24)23(33)30-20-6-4-3-5-18(20)26(27,28)29/h3-6,12,14-17,19,21H,7-11,13H2,1-2H3,(H,30,33)(H,31,32)/t15?,16?,17?,19-,21?,24+,25-/m1/s1
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PC sid
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Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibitory concentration was tested on human 5-alpha reductase 1 isozyme


J Med Chem 40: 1293-315 (1997)


Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50032759
PNG
((4aR,6aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,...)
Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15?,16?,17?,19?,21?,24-,25+/m0/s1
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Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Steroid 5-alpha-reductase type I


J Med Chem 38: 3189-92 (1995)


Article DOI: 10.1021/jm00017a001
BindingDB Entry DOI: 10.7270/Q2G161G8
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50057487
PNG
((4aR,6aS,7S)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7...)
Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15?,16?,17?,19-,21?,24+,25-/m1/s1
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Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibitory concentration was tested on human 5-alpha reductase 1 isozyme


J Med Chem 40: 1293-315 (1997)


Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50032784
PNG
((4aR,6aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,...)
Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H31F3N2O2/c1-24-13-11-17-15(7-10-21-25(17,2)14-12-22(32)31-21)16(24)8-9-19(24)23(33)30-20-6-4-3-5-18(20)26(27,28)29/h3-6,12,14-17,19,21H,7-11,13H2,1-2H3,(H,30,33)(H,31,32)/t15?,16?,17?,19?,21?,24-,25+/m0/s1
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PC sid
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Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Steroid 5-alpha-reductase type I


J Med Chem 38: 3189-92 (1995)


Article DOI: 10.1021/jm00017a001
BindingDB Entry DOI: 10.7270/Q2G161G8
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50057487
PNG
((4aR,6aS,7S)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7...)
Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15?,16?,17?,19-,21?,24+,25-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of human 5-alpha reductase 2 isozyme.


J Med Chem 40: 1293-315 (1997)


Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN
More data for this
Ligand-Target Pair