BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '3-keto-steroid reductase'   
Target
(Institution)
LigandTarget
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
3-keto-steroid reductase


(Homo sapiens)
BDBM50311131
PNG
((2'R,4aR,4bS,6aS,9aS,9bR,11aR)-1,4a,5',5',6a-penta...)
Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4CC[C@@]5(CCC(C)(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C25H39NO3/c1-22(2)14-15-25(29-21(22)28)13-9-18-16-6-7-19-23(3,11-10-20(27)26(19)5)17(16)8-12-24(18,25)4/h16-19H,6-15H2,1-5H3/t16-,17+,18+,19-,23-,24+,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 116n/an/an/an/an/an/a



CHUQ (CHUL) Research Center and Laval University

Curated by ChEMBL


Assay Description
Inhibition of human 17beta-HSD7 expressed in HEK293 cells assessed as inhibition of reduction of [14C]estrone into [14C]estradiol after 7 hrs


Citation and Details
More data for this
Ligand-Target Pair
3-keto-steroid reductase


(Homo sapiens)
BDBM50311133
PNG
(17beta-[(N-Heptyl)methylamino]-4-methyl-4-aza-5alp...)
Show SMILES CCCCCCCN(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H48N2O/c1-6-7-8-9-10-19-28(4)23-14-12-21-20-11-13-24-27(3,18-16-25(30)29(24)5)22(20)15-17-26(21,23)2/h20-24H,6-19H2,1-5H3/t20-,21-,22-,23-,24+,26-,27+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 189n/an/an/an/an/an/a



CHUQ (CHUL) Research Center and Laval University

Curated by ChEMBL


Assay Description
Inhibition of human 17beta-HSD7 expressed in HEK293 cells assessed as inhibition of reduction of [14C]estrone into [14C]estradiol after 7 hrs


Citation and Details
More data for this
Ligand-Target Pair
3-keto-steroid reductase


(Homo sapiens)
BDBM50311132
PNG
(17beta-[(N-Decyl)formamido]-4-methyl-4-aza-5alpha-...)
Show SMILES CCCCCCCCCCN(C=O)C1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C30H52N2O2/c1-5-6-7-8-9-10-11-12-21-32(22-33)27-16-14-24-23-13-15-26-29(2,20-18-28(34)31(26)4)25(23)17-19-30(24,27)3/h22-27H,5-21H2,1-4H3/t23-,24-,25-,26+,27?,29+,30-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 195n/an/an/an/an/an/a



CHUQ (CHUL) Research Center and Laval University

Curated by ChEMBL


Assay Description
Inhibition of human 17beta-HSD7 expressed in HEK293 cells assessed as inhibition of reduction of [14C]estrone into [14C]estradiol after 7 hrs


Citation and Details
More data for this
Ligand-Target Pair