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1 similar compounds to monomer 50032795

Compile data set for download or QSAR
Wt: 416.5
BDBM50057492

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50057492   
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
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50057492
PNG
((4aR,6aS,7S)-7-(Indole-1-carbonyl)-4a,6a-dimethyl-...)
Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)n1ccc2ccccc12
Show InChI InChI=1S/C27H32N2O2/c1-26-14-11-20-18(7-10-23-27(20,2)15-12-24(30)28-23)19(26)8-9-21(26)25(31)29-16-13-17-5-3-4-6-22(17)29/h3-6,12-13,15-16,18-21,23H,7-11,14H2,1-2H3,(H,28,30)/t18?,19?,20?,21-,23?,26+,27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.400n/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))
BDBM50057492
PNG
((4aR,6aS,7S)-7-(Indole-1-carbonyl)-4a,6a-dimethyl-...)
Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)n1ccc2ccccc12
Show InChI InChI=1S/C27H32N2O2/c1-26-14-11-20-18(7-10-23-27(20,2)15-12-24(30)28-23)19(26)8-9-21(26)25(31)29-16-13-17-5-3-4-6-22(17)29/h3-6,12-13,15-16,18-21,23H,7-11,14H2,1-2H3,(H,28,30)/t18?,19?,20?,21-,23?,26+,27-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/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