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BDBM50044881 8-Chloro-4-methyl-1,4,5,6-tetrahydro-2H-benzo[f]quinolin-3-one::CHEMBL16456

SMILES: CN1C(=O)CCC2=C1CCc1cc(Cl)ccc21

InChI Key: InChIKey=ZGWJLFQGIWFVSR-UHFFFAOYSA-N

Data: 2 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50044881   
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
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 |c:6|
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
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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
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 |c:6|
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
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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
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 |c:6|
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
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n/an/a 174n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells


Bioorg Med Chem Lett 3: 1157-1162 (1993)


Article DOI: 10.1016/S0960-894X(00)80306-6
BindingDB Entry DOI: 10.7270/Q2VD70NP
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 |c:6|
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
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n/an/a 30n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells.


J Med Chem 36: 421-3 (1993)


BindingDB Entry DOI: 10.7270/Q2T43TQX
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 |c:6|
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
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PC sid
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n/an/a 30n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 353-6 (2000)


BindingDB Entry DOI: 10.7270/Q2K35SVJ
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 |c:6|
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

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 30n/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