Found 69 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
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 | pH | Temp
°C |
|---|
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385891
(CHEMBL2041378)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C30H24N2O5S/c1-19(33)31-24-10-12-27(13-11-24)38(36,37)32-25-6-2-5-23(17-25)30-28-14-8-21(16-22(28)9-15-29(30)35)20-4-3-7-26(34)18-20/h2-18,32,34-35H,1H3,(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385884
(CHEMBL2041373)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(O)c2)c1 Show InChI InChI=1S/C28H21NO5S/c30-23-7-2-4-18(16-23)19-10-12-26-20(14-19)11-13-27(32)28(26)21-5-1-6-22(15-21)29-35(33,34)25-9-3-8-24(31)17-25/h1-17,29-32H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385879
(CHEMBL2041367)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 Show InChI InChI=1S/C29H20N2O4S/c30-18-23-5-1-2-10-28(23)36(34,35)31-24-8-3-7-22(16-24)29-26-13-11-20(15-21(26)12-14-27(29)33)19-6-4-9-25(32)17-19/h1-17,31-33H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385895
(CHEMBL2041362)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C28H21NO4S/c30-24-9-5-6-19(18-24)20-12-14-26-21(16-20)13-15-27(31)28(26)22-7-4-8-23(17-22)29-34(32,33)25-10-2-1-3-11-25/h1-18,29-31H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385894
(CHEMBL2041363)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2[N+]([O-])=O)c1 Show InChI InChI=1S/C28H20N2O6S/c31-23-8-4-5-18(17-23)19-11-13-24-20(15-19)12-14-26(32)28(24)21-6-3-7-22(16-21)29-37(35,36)27-10-2-1-9-25(27)30(33)34/h1-17,29,31-32H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385886
(CHEMBL2041374)Show SMILES Oc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C28H21NO5S/c30-23-9-11-25(12-10-23)35(33,34)29-22-5-1-4-21(16-22)28-26-13-7-19(15-20(26)8-14-27(28)32)18-3-2-6-24(31)17-18/h1-17,29-32H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385893
(CHEMBL2041364)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C28H20N2O6S/c31-24-8-2-4-18(16-24)19-10-12-26-20(14-19)11-13-27(32)28(26)21-5-1-6-22(15-21)29-37(35,36)25-9-3-7-23(17-25)30(33)34/h1-17,29,31-32H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385883
(CHEMBL2041371)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 Show InChI InChI=1S/C28H20FNO4S/c29-22-6-3-9-25(17-22)35(33,34)30-23-7-1-5-21(15-23)28-26-12-10-19(14-20(26)11-13-27(28)32)18-4-2-8-24(31)16-18/h1-17,30-32H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385882
(CHEMBL2041369)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C29H20N2O4S/c30-18-19-7-11-26(12-8-19)36(34,35)31-24-5-1-4-23(16-24)29-27-13-9-21(15-22(27)10-14-28(29)33)20-3-2-6-25(32)17-20/h1-17,31-33H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385896
(CHEMBL2041361)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C26H19NO4S2/c28-22-7-2-4-17(16-22)18-9-11-23-19(14-18)10-12-24(29)26(23)20-5-1-6-21(15-20)27-33(30,31)25-8-3-13-32-25/h1-16,27-29H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385881
(CHEMBL2041370)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2F)c1 Show InChI InChI=1S/C28H20FNO4S/c29-25-9-1-2-10-27(25)35(33,34)30-22-7-3-6-21(16-22)28-24-13-11-19(15-20(24)12-14-26(28)32)18-5-4-8-23(31)17-18/h1-17,30-32H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385880
(CHEMBL2041368)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(c2)C#N)c1 Show InChI InChI=1S/C29H20N2O4S/c30-18-19-4-1-9-26(14-19)36(34,35)31-24-7-2-6-23(16-24)29-27-12-10-21(15-22(27)11-13-28(29)33)20-5-3-8-25(32)17-20/h1-17,31-33H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385888
(CHEMBL2041375)Show SMILES Cc1ccccc1S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C29H23NO4S/c1-19-6-2-3-11-28(19)35(33,34)30-24-9-4-8-23(17-24)29-26-14-12-21(16-22(26)13-15-27(29)32)20-7-5-10-25(31)18-20/h2-18,30-32H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385878
(CHEMBL2040856)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc2n(ccc12)S(=O)(=O)c1ccccc1 |(4.01,8.19,;4.01,6.65,;5.34,5.88,;5.34,4.34,;4,3.57,;2.67,4.34,;2.67,5.88,;1.33,3.57,;1.33,2.03,;-0,1.27,;-1.34,2.04,;-2.67,1.27,;-4,2.04,;-5.34,1.27,;-4,3.58,;-2.67,4.35,;-1.33,3.58,;0,4.35,;-2.67,-.27,;-4.01,-1.04,;-4.01,-2.58,;-2.68,-3.35,;-1.34,-2.58,;.12,-3.06,;1.03,-1.82,;.13,-.57,;-1.34,-1.04,;.6,-4.53,;1.93,-3.76,;1.93,-5.3,;-.49,-5.61,;-1.98,-5.22,;-3.07,-6.3,;-2.67,-7.79,;-1.18,-8.19,;-.09,-7.1,)| Show InChI InChI=1S/C30H21NO4S/c32-23-7-4-6-20(19-23)21-12-14-25-22(18-21)13-15-29(33)30(25)27-10-5-11-28-26(27)16-17-31(28)36(34,35)24-8-2-1-3-9-24/h1-19,32-33H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385890
(CHEMBL2041379)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)CC(F)(F)F)c1 Show InChI InChI=1S/C24H18F3NO4S/c25-24(26,27)14-33(31,32)28-19-5-1-4-18(12-19)23-21-9-7-16(11-17(21)8-10-22(23)30)15-3-2-6-20(29)13-15/h1-13,28-30H,14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385887
(CHEMBL2041376)Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C29H23NO4S/c1-19-5-2-10-26(15-19)35(33,34)30-24-8-3-7-23(17-24)29-27-13-11-21(16-22(27)12-14-28(29)32)20-6-4-9-25(31)18-20/h2-18,30-32H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385889
(CHEMBL2041377)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C29H23NO4S/c1-19-8-12-26(13-9-19)35(33,34)30-24-6-2-5-23(17-24)29-27-14-10-21(16-22(27)11-15-28(29)32)20-4-3-7-25(31)18-20/h2-18,30-32H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385898
(CHEMBL2041358)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)c1 Show InChI InChI=1S/C28H18BrF2NO4S/c29-23-14-25(31)27(15-24(23)30)37(35,36)32-20-5-1-4-19(12-20)28-22-9-7-17(11-18(22)8-10-26(28)34)16-3-2-6-21(33)13-16/h1-15,32-34H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385892
(CHEMBL2041365)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C28H20N2O6S/c31-24-6-2-3-18(17-24)19-7-13-26-20(15-19)8-14-27(32)28(26)21-4-1-5-22(16-21)29-37(35,36)25-11-9-23(10-12-25)30(33)34/h1-17,29,31-32H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385885
(CHEMBL2041372)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C28H20FNO4S/c29-22-9-11-25(12-10-22)35(33,34)30-23-5-1-4-21(16-23)28-26-13-7-19(15-20(26)8-14-27(28)32)18-3-2-6-24(31)17-18/h1-17,30-32H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385901
(CHEMBL2041359)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)c1 Show InChI InChI=1S/C29H19BrF3NO5S/c30-21-9-12-27(26(16-21)39-29(31,32)33)40(37,38)34-22-5-1-4-20(14-22)28-24-10-7-18(13-19(24)8-11-25(28)36)17-3-2-6-23(35)15-17/h1-16,34-36H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385897
(CHEMBL2041360)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccc3ncccc3c2)c1 Show InChI InChI=1S/C31H22N2O4S/c34-26-8-2-4-20(18-26)21-9-12-28-22(16-21)10-14-30(35)31(28)24-5-1-7-25(17-24)33-38(36,37)27-11-13-29-23(19-27)6-3-15-32-29/h1-19,33-35H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385879
(CHEMBL2041367)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 Show InChI InChI=1S/C29H20N2O4S/c30-18-23-5-1-2-10-28(23)36(34,35)31-24-8-3-7-22(16-24)29-26-13-11-20(15-21(26)12-14-27(29)33)19-6-4-9-25(32)17-19/h1-17,31-33H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 157 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385888
(CHEMBL2041375)Show SMILES Cc1ccccc1S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C29H23NO4S/c1-19-6-2-3-11-28(19)35(33,34)30-24-9-4-8-23(17-24)29-26-14-12-21(16-22(26)13-15-27(29)32)20-7-5-10-25(31)18-20/h2-18,30-32H,1H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 188 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385895
(CHEMBL2041362)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C28H21NO4S/c30-24-9-5-6-19(18-24)20-12-14-26-21(16-20)13-15-27(31)28(26)22-7-4-8-23(17-22)29-34(32,33)25-10-2-1-3-11-25/h1-18,29-31H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 196 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385901
(CHEMBL2041359)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)c1 Show InChI InChI=1S/C29H19BrF3NO5S/c30-21-9-12-27(26(16-21)39-29(31,32)33)40(37,38)34-22-5-1-4-20(14-22)28-24-10-7-18(13-19(24)8-11-25(28)36)17-3-2-6-23(35)15-17/h1-16,34-36H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 213 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385898
(CHEMBL2041358)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)c1 Show InChI InChI=1S/C28H18BrF2NO4S/c29-23-14-25(31)27(15-24(23)30)37(35,36)32-20-5-1-4-19(12-20)28-22-9-7-17(11-18(22)8-10-26(28)34)16-3-2-6-21(33)13-16/h1-15,32-34H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 223 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385894
(CHEMBL2041363)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2[N+]([O-])=O)c1 Show InChI InChI=1S/C28H20N2O6S/c31-23-8-4-5-18(17-23)19-11-13-24-20(15-19)12-14-26(32)28(24)21-6-3-7-22(16-21)29-37(35,36)27-10-2-1-9-25(27)30(33)34/h1-17,29,31-32H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 238 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385891
(CHEMBL2041378)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C30H24N2O5S/c1-19(33)31-24-10-12-27(13-11-24)38(36,37)32-25-6-2-5-23(17-25)30-28-14-8-21(16-22(28)9-15-29(30)35)20-4-3-7-26(34)18-20/h2-18,32,34-35H,1H3,(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385890
(CHEMBL2041379)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)CC(F)(F)F)c1 Show InChI InChI=1S/C24H18F3NO4S/c25-24(26,27)14-33(31,32)28-19-5-1-4-18(12-19)23-21-9-7-16(11-17(21)8-10-22(23)30)15-3-2-6-20(29)13-15/h1-13,28-30H,14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 246 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385896
(CHEMBL2041361)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C26H19NO4S2/c28-22-7-2-4-17(16-22)18-9-11-23-19(14-18)10-12-24(29)26(23)20-5-1-6-21(15-20)27-33(30,31)25-8-3-13-32-25/h1-16,27-29H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385886
(CHEMBL2041374)Show SMILES Oc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C28H21NO5S/c30-23-9-11-25(12-10-23)35(33,34)29-22-5-1-4-21(16-22)28-26-13-7-19(15-20(26)8-14-27(28)32)18-3-2-6-24(31)17-18/h1-17,29-32H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 352 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385889
(CHEMBL2041377)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C29H23NO4S/c1-19-8-12-26(13-9-19)35(33,34)30-24-6-2-5-23(17-24)29-27-14-10-21(16-22(27)11-15-28(29)32)20-4-3-7-25(31)18-20/h2-18,30-32H,1H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 367 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385900
(CHEMBL2041366)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c1 Show InChI InChI=1S/C28H19N3O8S/c32-23-6-2-3-17(15-23)18-7-10-24-19(13-18)8-11-26(33)28(24)20-4-1-5-21(14-20)29-40(38,39)27-12-9-22(30(34)35)16-25(27)31(36)37/h1-16,29,32-33H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 371 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385893
(CHEMBL2041364)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C28H20N2O6S/c31-24-8-2-4-18(16-24)19-10-12-26-20(14-19)11-13-27(32)28(26)21-5-1-6-22(15-21)29-37(35,36)25-9-3-7-23(17-25)30(33)34/h1-17,29,31-32H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 374 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385878
(CHEMBL2040856)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc2n(ccc12)S(=O)(=O)c1ccccc1 |(4.01,8.19,;4.01,6.65,;5.34,5.88,;5.34,4.34,;4,3.57,;2.67,4.34,;2.67,5.88,;1.33,3.57,;1.33,2.03,;-0,1.27,;-1.34,2.04,;-2.67,1.27,;-4,2.04,;-5.34,1.27,;-4,3.58,;-2.67,4.35,;-1.33,3.58,;0,4.35,;-2.67,-.27,;-4.01,-1.04,;-4.01,-2.58,;-2.68,-3.35,;-1.34,-2.58,;.12,-3.06,;1.03,-1.82,;.13,-.57,;-1.34,-1.04,;.6,-4.53,;1.93,-3.76,;1.93,-5.3,;-.49,-5.61,;-1.98,-5.22,;-3.07,-6.3,;-2.67,-7.79,;-1.18,-8.19,;-.09,-7.1,)| Show InChI InChI=1S/C30H21NO4S/c32-23-7-4-6-20(19-23)21-12-14-25-22(18-21)13-15-29(33)30(25)27-10-5-11-28-26(27)16-17-31(28)36(34,35)24-8-2-1-3-9-24/h1-19,32-33H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 391 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385883
(CHEMBL2041371)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 Show InChI InChI=1S/C28H20FNO4S/c29-22-6-3-9-25(17-22)35(33,34)30-23-7-1-5-21(15-23)28-26-12-10-19(14-20(26)11-13-27(28)32)18-4-2-8-24(31)16-18/h1-17,30-32H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 396 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385893
(CHEMBL2041364)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C28H20N2O6S/c31-24-8-2-4-18(16-24)19-10-12-26-20(14-19)11-13-27(32)28(26)21-5-1-6-22(15-21)29-37(35,36)25-9-3-7-23(17-25)30(33)34/h1-17,29,31-32H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 396 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385880
(CHEMBL2041368)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(c2)C#N)c1 Show InChI InChI=1S/C29H20N2O4S/c30-18-19-4-1-9-26(14-19)36(34,35)31-24-7-2-6-23(16-24)29-27-12-10-21(15-22(27)11-13-28(29)33)20-5-3-8-25(32)17-20/h1-17,31-33H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 402 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385895
(CHEMBL2041362)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C28H21NO4S/c30-24-9-5-6-19(18-24)20-12-14-26-21(16-20)13-15-27(31)28(26)22-7-4-8-23(17-22)29-34(32,33)25-10-2-1-3-11-25/h1-18,29-31H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 403 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385891
(CHEMBL2041378)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C30H24N2O5S/c1-19(33)31-24-10-12-27(13-11-24)38(36,37)32-25-6-2-5-23(17-25)30-28-14-8-21(16-22(28)9-15-29(30)35)20-4-3-7-26(34)18-20/h2-18,32,34-35H,1H3,(H,31,33) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 408 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385881
(CHEMBL2041370)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2F)c1 Show InChI InChI=1S/C28H20FNO4S/c29-25-9-1-2-10-27(25)35(33,34)30-22-7-3-6-21(16-22)28-24-13-11-19(15-20(24)12-14-26(28)32)18-5-4-8-23(31)17-18/h1-17,30-32H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 429 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385879
(CHEMBL2041367)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 Show InChI InChI=1S/C29H20N2O4S/c30-18-23-5-1-2-10-28(23)36(34,35)31-24-8-3-7-22(16-24)29-26-13-11-20(15-21(26)12-14-27(29)33)19-6-4-9-25(32)17-19/h1-17,31-33H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 439 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385887
(CHEMBL2041376)Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C29H23NO4S/c1-19-5-2-10-26(15-19)35(33,34)30-24-8-3-7-23(17-24)29-27-13-11-21(16-22(27)12-14-28(29)32)20-6-4-9-25(31)18-20/h2-18,30-32H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385887
(CHEMBL2041376)Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C29H23NO4S/c1-19-5-2-10-26(15-19)35(33,34)30-24-8-3-7-23(17-24)29-27-13-11-21(16-22(27)12-14-28(29)32)20-6-4-9-25(31)18-20/h2-18,30-32H,1H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 446 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385894
(CHEMBL2041363)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2[N+]([O-])=O)c1 Show InChI InChI=1S/C28H20N2O6S/c31-23-8-4-5-18(17-23)19-11-13-24-20(15-19)12-14-26(32)28(24)21-6-3-7-22(16-21)29-37(35,36)27-10-2-1-9-25(27)30(33)34/h1-17,29,31-32H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 462 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385883
(CHEMBL2041371)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 Show InChI InChI=1S/C28H20FNO4S/c29-22-6-3-9-25(17-22)35(33,34)30-23-7-1-5-21(15-23)28-26-12-10-19(14-20(26)11-13-27(28)32)18-4-2-8-24(31)16-18/h1-17,30-32H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 462 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385897
(CHEMBL2041360)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccc3ncccc3c2)c1 Show InChI InChI=1S/C31H22N2O4S/c34-26-8-2-4-20(18-26)21-9-12-28-22(16-21)10-14-30(35)31(28)24-5-1-7-25(17-24)33-38(36,37)27-11-13-29-23(19-27)6-3-15-32-29/h1-19,33-35H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 498 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385899
(CHEMBL2041380)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1ccc2ccn(c2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H21NO4S/c32-25-6-4-5-21(18-25)22-11-13-27-23(17-22)12-14-29(33)30(27)24-10-9-20-15-16-31(28(20)19-24)36(34,35)26-7-2-1-3-8-26/h1-19,32-33H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 519 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385888
(CHEMBL2041375)Show SMILES Cc1ccccc1S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C29H23NO4S/c1-19-6-2-3-11-28(19)35(33,34)30-24-9-4-8-23(17-24)29-26-14-12-21(16-22(26)13-15-27(29)32)20-7-5-10-25(31)18-20/h2-18,30-32H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 525 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385897
(CHEMBL2041360)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccc3ncccc3c2)c1 Show InChI InChI=1S/C31H22N2O4S/c34-26-8-2-4-20(18-26)21-9-12-28-22(16-21)10-14-30(35)31(28)24-5-1-7-25(17-24)33-38(36,37)27-11-13-29-23(19-27)6-3-15-32-29/h1-19,33-35H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 535 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385882
(CHEMBL2041369)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C29H20N2O4S/c30-18-19-7-11-26(12-8-19)36(34,35)31-24-5-1-4-23(16-24)29-27-13-9-21(15-22(27)10-14-28(29)33)20-3-2-6-25(32)17-20/h1-17,31-33H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 555 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385880
(CHEMBL2041368)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(c2)C#N)c1 Show InChI InChI=1S/C29H20N2O4S/c30-18-19-4-1-9-26(14-19)36(34,35)31-24-7-2-6-23(16-24)29-27-12-10-21(15-22(27)11-13-28(29)33)20-5-3-8-25(32)17-20/h1-17,31-33H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 607 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385889
(CHEMBL2041377)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C29H23NO4S/c1-19-8-12-26(13-9-19)35(33,34)30-24-6-2-5-23(17-24)29-27-14-10-21(16-22(27)11-15-28(29)32)20-4-3-7-25(31)18-20/h2-18,30-32H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 633 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385885
(CHEMBL2041372)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C28H20FNO4S/c29-22-9-11-25(12-10-22)35(33,34)30-23-5-1-4-21(16-23)28-26-13-7-19(15-20(26)8-14-27(28)32)18-3-2-6-24(31)17-18/h1-17,30-32H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 637 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385898
(CHEMBL2041358)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)c1 Show InChI InChI=1S/C28H18BrF2NO4S/c29-23-14-25(31)27(15-24(23)30)37(35,36)32-20-5-1-4-19(12-20)28-22-9-7-17(11-18(22)8-10-26(28)34)16-3-2-6-21(33)13-16/h1-15,32-34H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 646 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385900
(CHEMBL2041366)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c1 Show InChI InChI=1S/C28H19N3O8S/c32-23-6-2-3-17(15-23)18-7-10-24-19(13-18)8-11-26(33)28(24)20-4-1-5-21(14-20)29-40(38,39)27-12-9-22(30(34)35)16-25(27)31(36)37/h1-16,29,32-33H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385884
(CHEMBL2041373)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(O)c2)c1 Show InChI InChI=1S/C28H21NO5S/c30-23-7-2-4-18(16-23)19-10-12-26-20(14-19)11-13-27(32)28(26)21-5-1-6-22(15-21)29-35(33,34)25-9-3-8-24(31)17-25/h1-17,29-32H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 701 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385881
(CHEMBL2041370)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2F)c1 Show InChI InChI=1S/C28H20FNO4S/c29-25-9-1-2-10-27(25)35(33,34)30-22-7-3-6-21(16-22)28-24-13-11-19(15-20(24)12-14-26(28)32)18-5-4-8-23(31)17-18/h1-17,30-32H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 749 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385892
(CHEMBL2041365)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C28H20N2O6S/c31-24-6-2-3-18(17-24)19-7-13-26-20(15-19)8-14-27(32)28(26)21-4-1-5-22(16-21)29-37(35,36)25-11-9-23(10-12-25)30(33)34/h1-17,29,31-32H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 753 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385882
(CHEMBL2041369)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C29H20N2O4S/c30-18-19-7-11-26(12-8-19)36(34,35)31-24-5-1-4-23(16-24)29-27-13-9-21(15-22(27)10-14-28(29)33)20-3-2-6-25(32)17-20/h1-17,31-33H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 825 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385885
(CHEMBL2041372)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C28H20FNO4S/c29-22-9-11-25(12-10-22)35(33,34)30-23-5-1-4-21(16-23)28-26-13-7-19(15-20(26)8-14-27(28)32)18-3-2-6-24(31)17-18/h1-17,30-32H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 834 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385899
(CHEMBL2041380)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1ccc2ccn(c2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H21NO4S/c32-25-6-4-5-21(18-25)22-11-13-27-23(17-22)12-14-29(33)30(27)24-10-9-20-15-16-31(28(20)19-24)36(34,35)26-7-2-1-3-8-26/h1-19,32-33H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 996 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385884
(CHEMBL2041373)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(O)c2)c1 Show InChI InChI=1S/C28H21NO5S/c30-23-7-2-4-18(16-23)19-10-12-26-20(14-19)11-13-27(32)28(26)21-5-1-6-22(15-21)29-35(33,34)25-9-3-8-24(31)17-25/h1-17,29-32H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 999 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385886
(CHEMBL2041374)Show SMILES Oc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C28H21NO5S/c30-23-9-11-25(12-10-23)35(33,34)29-22-5-1-4-21(16-22)28-26-13-7-19(15-20(26)8-14-27(28)32)18-3-2-6-24(31)17-18/h1-17,29-32H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385892
(CHEMBL2041365)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C28H20N2O6S/c31-24-6-2-3-18(17-24)19-7-13-26-20(15-19)8-14-27(32)28(26)21-4-1-5-22(16-21)29-37(35,36)25-11-9-23(10-12-25)30(33)34/h1-17,29,31-32H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50385878
(CHEMBL2040856)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc2n(ccc12)S(=O)(=O)c1ccccc1 |(4.01,8.19,;4.01,6.65,;5.34,5.88,;5.34,4.34,;4,3.57,;2.67,4.34,;2.67,5.88,;1.33,3.57,;1.33,2.03,;-0,1.27,;-1.34,2.04,;-2.67,1.27,;-4,2.04,;-5.34,1.27,;-4,3.58,;-2.67,4.35,;-1.33,3.58,;0,4.35,;-2.67,-.27,;-4.01,-1.04,;-4.01,-2.58,;-2.68,-3.35,;-1.34,-2.58,;.12,-3.06,;1.03,-1.82,;.13,-.57,;-1.34,-1.04,;.6,-4.53,;1.93,-3.76,;1.93,-5.3,;-.49,-5.61,;-1.98,-5.22,;-3.07,-6.3,;-2.67,-7.79,;-1.18,-8.19,;-.09,-7.1,)| Show InChI InChI=1S/C30H21NO4S/c32-23-7-4-6-20(19-23)21-12-14-25-22(18-21)13-15-29(33)30(25)27-10-5-11-28-26(27)16-17-31(28)36(34,35)24-8-2-1-3-9-24/h1-19,32-33H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra... |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385896
(CHEMBL2041361)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C26H19NO4S2/c28-22-7-2-4-17(16-22)18-9-11-23-19(14-18)10-12-24(29)26(23)20-5-1-6-21(15-20)27-33(30,31)25-8-3-13-32-25/h1-16,27-29H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50385890
(CHEMBL2041379)Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)CC(F)(F)F)c1 Show InChI InChI=1S/C24H18F3NO4S/c25-24(26,27)14-33(31,32)28-19-5-1-4-18(12-19)23-21-9-7-16(11-17(21)8-10-22(23)30)15-3-2-6-20(29)13-15/h1-13,28-30H,14H2 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay |
J Med Chem 55: 3307-18 (2012)
Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K |
More data for this
Ligand-Target Pair | |
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