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20 similar compounds to monomer 50405920

Compile data set for download or QSAR
Wt: 312.4
BDBM50016779
Wt: 324.4
BDBM50016780
Wt: 310.4
BDBM50016783
Wt: 352.5
BDBM50405907
Wt: 409.5
BDBM50016781
Wt: 429.5
BDBM50016782

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50016779,50016780,50016783,50405907,50016781,50016782   
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


(Rattus norvegicus)
BDBM50016781
PNG
(CHEMBL176429)
Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3C=Cc4cc(ccc4C3CC[C@]12C)C(O)=O
Show InChI InChI=1S/C20H32O3S/c1-2-3-4-9-14-24-15-17-16(18-12-13-19(17)23-18)10-7-5-6-8-11-20(21)22/h3-5,7,16-19H,2,6,8-15H2,1H3,(H,21,22)/b4-3+,7-5-
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
450n/an/an/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue


J Med Chem 33: 937-42 (1990)


Article DOI: 10.1021/jm00165a009
BindingDB Entry DOI: 10.7270/Q2F76DR5
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50016782
PNG
(CHEMBL1627708)
Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4c(F)c(ccc4[C@H]3CC[C@]12C)C(O)=O
Show InChI InChI=1S/C20H34O3S/c1-2-3-4-9-14-24-15-17-16(18-12-13-19(17)23-18)10-7-5-6-8-11-20(21)22/h5,7,16-19H,2-4,6,8-15H2,1H3,(H,21,22)/b7-5-
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
500n/an/an/an/an/an/an/an/a



Smith Kline& French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue


J Med Chem 33: 937-42 (1990)


Article DOI: 10.1021/jm00165a009
BindingDB Entry DOI: 10.7270/Q2F76DR5
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50405907
PNG
(CHEMBL2096756)
Show SMILES CC\C=C/CCSCC1C2CCC(O2)C1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O3S/c1-2-3-4-9-14-24-15-17-16(18-12-13-19(17)23-18)10-7-5-6-8-11-20(21)22/h3-5,7,16-19H,2,6,8-15H2,1H3,(H,21,22)/b4-3-,7-5-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.400n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of specific binding of HSQ (5,6-di-3H-SQ 29,548) in washed platelets


J Med Chem 32: 974-84 (1989)


Article DOI: 10.1021/jm00125a009
BindingDB Entry DOI: 10.7270/Q2TT4PX7
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50016780
PNG
(7-(3-But-3-enylsulfanylmethyl-7-oxa-bicyclo[2.2.1]...)
Show SMILES OC(=O)CCC\C=C/CC1C2CCC(O2)C1CSCCC=C
Show InChI InChI=1S/C18H28O3S/c1-2-3-12-22-13-15-14(16-10-11-17(15)21-16)8-6-4-5-7-9-18(19)20/h2,4,6,14-17H,1,3,5,7-13H2,(H,19,20)/b6-4-
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 49n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of specific binding of HSQ(5,6-di-3H-SQ 29,548) in washed platelets


J Med Chem 32: 974-84 (1989)


Article DOI: 10.1021/jm00125a009
BindingDB Entry DOI: 10.7270/Q2TT4PX7
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50016779
PNG
(7-(3-Propylsulfanylmethyl-7-oxa-bicyclo[2.2.1]hept...)
Show SMILES CCCSCC1C2CCC(O2)C1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C17H28O3S/c1-2-11-21-12-14-13(15-9-10-16(14)20-15)7-5-3-4-6-8-17(18)19/h3,5,13-16H,2,4,6-12H2,1H3,(H,18,19)/b5-3-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 97n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of specific binding of HSQ(5,6-di-3H-SQ 29,548) in washed platelets


J Med Chem 32: 974-84 (1989)


Article DOI: 10.1021/jm00125a009
BindingDB Entry DOI: 10.7270/Q2TT4PX7
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50016783
PNG
(7-(3-Allylsulfanylmethyl-7-oxa-bicyclo[2.2.1]hept-...)
Show SMILES OC(=O)CCC\C=C/CC1C2CCC(O2)C1CSCC=C
Show InChI InChI=1S/C17H26O3S/c1-2-11-21-12-14-13(15-9-10-16(14)20-15)7-5-3-4-6-8-17(18)19/h2-3,5,13-16H,1,4,6-12H2,(H,18,19)/b5-3-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 76n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of specific binding of HSQ(5,6-di-3H-SQ 29,548) in washed platelets


J Med Chem 32: 974-84 (1989)


Article DOI: 10.1021/jm00125a009
BindingDB Entry DOI: 10.7270/Q2TT4PX7
More data for this
Ligand-Target Pair