BindingDB logo
myBDB logout

Articleid 50040995

Compile data set for download or QSAR
Found 19 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
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50368782
PNG
(Bexlosteride | CHEMBL24955 | LY-191704)
Show SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O
Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type I


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50368782
PNG
(Bexlosteride | CHEMBL24955 | LY-191704)
Show SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O
Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type I


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50044879
PNG
((4aR,10bR)-8-Chloro-4,10b-dimethyl-1,4,4a,5,6,10b-...)
Show SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type I


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50044879
PNG
((4aR,10bR)-8-Chloro-4,10b-dimethyl-1,4,4a,5,6,10b-...)
Show SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type I


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50044885
PNG
((4aS,10bR)-8-Chloro-4-methyl-1,4,4a,5,6,10b-hexahy...)
Show SMILES CN1[C@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O
Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type I


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50044885
PNG
((4aS,10bR)-8-Chloro-4-methyl-1,4,4a,5,6,10b-hexahy...)
Show SMILES CN1[C@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O
Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type I


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50044881
PNG
(8-Chloro-4-methyl-1,4,5,6-tetrahydro-2H-benzo[f]qu...)
Show SMILES CN1C(=O)CCC2=C1CCc1cc(Cl)ccc21
Show InChI InChI=1S/C14H14ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8H,2,5-7H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type I


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50091704
PNG
((R)-8-Chloro-4,10b-dimethyl-1,4,6,10b-tetrahydro-2...)
Show SMILES CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc21
Show InChI InChI=1S/C15H16ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-6,9H,3,7-8H2,1-2H3/t15-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type I


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50044881
PNG
(8-Chloro-4-methyl-1,4,5,6-tetrahydro-2H-benzo[f]qu...)
Show SMILES CN1C(=O)CCC2=C1CCc1cc(Cl)ccc21
Show InChI InChI=1S/C14H14ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8H,2,5-7H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
455n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type 2


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50044879
PNG
((4aR,10bR)-8-Chloro-4,10b-dimethyl-1,4,4a,5,6,10b-...)
Show SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type 2


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50044879
PNG
((4aR,10bR)-8-Chloro-4,10b-dimethyl-1,4,4a,5,6,10b-...)
Show SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type 2


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50368782
PNG
(Bexlosteride | CHEMBL24955 | LY-191704)
Show SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O
Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type 2


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50368782
PNG
(Bexlosteride | CHEMBL24955 | LY-191704)
Show SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O
Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type 2


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50044885
PNG
((4aS,10bR)-8-Chloro-4-methyl-1,4,4a,5,6,10b-hexahy...)
Show SMILES CN1[C@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O
Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type 2


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50403248
PNG
(CHEMBL285332)
Show SMILES CN1[C@H]2CCc3cc(Cl)ccc3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
>2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type 2


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50403248
PNG
(CHEMBL285332)
Show SMILES CN1[C@H]2CCc3cc(Cl)ccc3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
>2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type 2


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50403248
PNG
(CHEMBL285332)
Show SMILES CN1[C@H]2CCc3cc(Cl)ccc3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type I


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50403248
PNG
(CHEMBL285332)
Show SMILES CN1[C@H]2CCc3cc(Cl)ccc3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type I


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50044885
PNG
((4aS,10bR)-8-Chloro-4-methyl-1,4,4a,5,6,10b-hexahy...)
Show SMILES CN1[C@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O
Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
5.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human Steroid 5-alpha-reductase type 2


Bioorg Med Chem Lett 4: 1365-1368 (1994)


Article DOI: 10.1016/S0960-894X(01)80363-2
BindingDB Entry DOI: 10.7270/Q26M381K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%