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BDBM50057479 7-Bromo-9,10-dihydro-phenanthrene-2-carboxylic acid::CHEMBL25578

SMILES: OC(=O)c1ccc-2c(CCc3cc(Br)ccc-23)c1

InChI Key: InChIKey=QXEZLMVQNMVYRX-UHFFFAOYSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50057479   
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))
BDBM50057479
PNG
(7-Bromo-9,10-dihydro-phenanthrene-2-carboxylic aci...)
Show SMILES OC(=O)c1ccc-2c(CCc3cc(Br)ccc-23)c1
Show InChI InChI=1S/C15H11BrO2/c16-12-4-6-14-10(8-12)2-1-9-7-11(15(17)18)3-5-13(9)14/h3-8H,1-2H2,(H,17,18)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of type-1 human steroid 5-alpha-reductase


Bioorg Med Chem Lett 6: 481-484 (1996)


Article DOI: 10.1016/0960-894X(96)00054-6
BindingDB Entry DOI: 10.7270/Q2BZ661K
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50057479
PNG
(7-Bromo-9,10-dihydro-phenanthrene-2-carboxylic aci...)
Show SMILES OC(=O)c1ccc-2c(CCc3cc(Br)ccc-23)c1
Show InChI InChI=1S/C15H11BrO2/c16-12-4-6-14-10(8-12)2-1-9-7-11(15(17)18)3-5-13(9)14/h3-8H,1-2H2,(H,17,18)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
26n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Steroid 5-alpha-reductase type I


Bioorg Med Chem Lett 10: 1909-11 (2001)


BindingDB Entry DOI: 10.7270/Q2M044PB
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50057479
PNG
(7-Bromo-9,10-dihydro-phenanthrene-2-carboxylic aci...)
Show SMILES OC(=O)c1ccc-2c(CCc3cc(Br)ccc-23)c1
Show InChI InChI=1S/C15H11BrO2/c16-12-4-6-14-10(8-12)2-1-9-7-11(15(17)18)3-5-13(9)14/h3-8H,1-2H2,(H,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of type-2 human steroid 5-alpha-reductase.


Bioorg Med Chem Lett 6: 481-484 (1996)


Article DOI: 10.1016/0960-894X(96)00054-6
BindingDB Entry DOI: 10.7270/Q2BZ661K
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50057479
PNG
(7-Bromo-9,10-dihydro-phenanthrene-2-carboxylic aci...)
Show SMILES OC(=O)c1ccc-2c(CCc3cc(Br)ccc-23)c1
Show InChI InChI=1S/C15H11BrO2/c16-12-4-6-14-10(8-12)2-1-9-7-11(15(17)18)3-5-13(9)14/h3-8H,1-2H2,(H,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.00E+4n/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
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50057479
PNG
(7-Bromo-9,10-dihydro-phenanthrene-2-carboxylic aci...)
Show SMILES OC(=O)c1ccc-2c(CCc3cc(Br)ccc-23)c1
Show InChI InChI=1S/C15H11BrO2/c16-12-4-6-14-10(8-12)2-1-9-7-11(15(17)18)3-5-13(9)14/h3-8H,1-2H2,(H,17,18)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 26n/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