Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50037212 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 |
|---|
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50118560
(CHEMBL262050 | Sulfamic acid 2-adamantan-1-yl-4-ox...)Show SMILES NS(=O)(=O)Oc1ccc2sc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:22:17:25.20.19,21:20:17:24.22.23| Show InChI InChI=1S/C19H21NO4S2/c20-26(22,23)24-14-1-2-17-15(6-14)16(21)7-18(25-17)19-8-11-3-12(9-19)5-13(4-11)10-19/h1-2,6-7,11-13H,3-5,8-10H2,(H2,20,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Research Institute Vienna
Curated by ChEMBL
| Assay Description
Inhibition of steroid sulfatase |
J Med Chem 46: 5091-4 (2003)
Article DOI: 10.1021/jm030926s
BindingDB Entry DOI: 10.7270/Q2RF5VR1 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50135162
(CHEMBL147705 | Sulfamic acid 2-adamantan-1-yl-4-ox...)Show SMILES NS(=O)(=O)Oc1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:23:18:25:24.22.21,23:22:25:17.18.19,THB:21:20:17:24.22.23,21:22:17:25.20.19| Show InChI InChI=1S/C19H21NO5S/c20-26(22,23)25-14-1-2-17-15(6-14)16(21)7-18(24-17)19-8-11-3-12(9-19)5-13(4-11)10-19/h1-2,6-7,11-13H,3-5,8-10H2,(H2,20,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Research Institute Vienna
Curated by ChEMBL
| Assay Description
Inhibition of steroid sulfatase |
J Med Chem 46: 5091-4 (2003)
Article DOI: 10.1021/jm030926s
BindingDB Entry DOI: 10.7270/Q2RF5VR1 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50135161
(CHEMBL359199 | Sulfamic acid 4-oxo-2-(4-pentyl-bic...)Show SMILES CCCCCC12CCC(CC1)C(C2)c1cc(=O)c2cc(OS(N)(=O)=O)ccc2o1 |TLB:13:11:7.6:9.10,(10.64,3.66,;9.31,2.89,;9.32,1.35,;7.99,.58,;8,-.96,;6.98,-2.11,;6.54,-.56,;5.14,-.56,;5.58,-2.18,;7.43,-2.69,;8.59,-2.41,;4.74,-3.45,;6.18,-3.37,;3.41,-4.22,;3.41,-5.76,;2.08,-6.53,;2.08,-8.06,;.75,-5.76,;-.58,-6.53,;-1.91,-5.76,;-3.26,-6.54,;-4.61,-5.77,;-5.97,-5,;-5.38,-7.12,;-3.84,-4.43,;-1.91,-4.22,;-.58,-3.45,;.75,-4.22,;2.08,-3.45,)| Show InChI InChI=1S/C22H29NO5S/c1-2-3-4-9-22-10-7-15(8-11-22)18(14-22)21-13-19(24)17-12-16(28-29(23,25)26)5-6-20(17)27-21/h5-6,12-13,15,18H,2-4,7-11,14H2,1H3,(H2,23,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Research Institute Vienna
Curated by ChEMBL
| Assay Description
Inhibition of steroid sulfatase |
J Med Chem 46: 5091-4 (2003)
Article DOI: 10.1021/jm030926s
BindingDB Entry DOI: 10.7270/Q2RF5VR1 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50118551
(CHEMBL137392 | Sulfamic acid 2-tert-butyl-4-oxo-4H...)Show InChI InChI=1S/C13H15NO5S/c1-13(2,3)12-7-10(15)9-6-8(19-20(14,16)17)4-5-11(9)18-12/h4-7H,1-3H3,(H2,14,16,17) | PDB
MMDB
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 |
Novartis Research Institute Vienna
Curated by ChEMBL
| Assay Description
Inhibition of steroid sulfatase |
J Med Chem 46: 5091-4 (2003)
Article DOI: 10.1021/jm030926s
BindingDB Entry DOI: 10.7270/Q2RF5VR1 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50118575
(CHEMBL137391 | Sulfamic acid 4-oxo-2-(2,2,3,3-tetr...)Show SMILES CC1(C)C(c2cc(=O)c3cc(OS(N)(=O)=O)ccc3o2)C1(C)C Show InChI InChI=1S/C16H19NO5S/c1-15(2)14(16(15,3)4)13-8-11(18)10-7-9(22-23(17,19)20)5-6-12(10)21-13/h5-8,14H,1-4H3,(H2,17,19,20) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Research Institute Vienna
Curated by ChEMBL
| Assay Description
Inhibition of steroid sulfatase |
J Med Chem 46: 5091-4 (2003)
Article DOI: 10.1021/jm030926s
BindingDB Entry DOI: 10.7270/Q2RF5VR1 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50118549
(CHEMBL137289 | Sulfamic acid 2-cyclododecyl-4-oxo-...)Show SMILES NS(=O)(=O)Oc1ccc2oc(cc(=O)c2c1)C1CCCCCCCCCCC1 Show InChI InChI=1S/C21H29NO5S/c22-28(24,25)27-17-12-13-20-18(14-17)19(23)15-21(26-20)16-10-8-6-4-2-1-3-5-7-9-11-16/h12-16H,1-11H2,(H2,22,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Research Institute Vienna
Curated by ChEMBL
| Assay Description
Inhibition of steroid sulfatase |
J Med Chem 46: 5091-4 (2003)
Article DOI: 10.1021/jm030926s
BindingDB Entry DOI: 10.7270/Q2RF5VR1 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50134329
(CHEMBL122708 | Sulfamic acid (11R,12S,15S,16S)-13-...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O Show InChI InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Research Institute Vienna
Curated by ChEMBL
| Assay Description
Inhibition of steroid sulfatase |
J Med Chem 46: 5091-4 (2003)
Article DOI: 10.1021/jm030926s
BindingDB Entry DOI: 10.7270/Q2RF5VR1 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50118570
(CHEMBL137707 | Sulfamic acid 2-(1,1-dimethyl-nonyl...)Show SMILES CCCCCCCCC(C)(C)c1cc(=O)c2cc(OS(N)(=O)=O)ccc2o1 Show InChI InChI=1S/C20H29NO5S/c1-4-5-6-7-8-9-12-20(2,3)19-14-17(22)16-13-15(26-27(21,23)24)10-11-18(16)25-19/h10-11,13-14H,4-9,12H2,1-3H3,(H2,21,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Research Institute Vienna
Curated by ChEMBL
| Assay Description
Inhibition of steroid sulfatase |
J Med Chem 46: 5091-4 (2003)
Article DOI: 10.1021/jm030926s
BindingDB Entry DOI: 10.7270/Q2RF5VR1 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50118564
(CHEMBL136663 | Sulfamic acid 2-adamantan-1-yl-4-ox...)Show SMILES NS(=O)(=O)Oc1ccc2OC(CC(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:22:17:25.20.19,21:20:17:24.22.23| Show InChI InChI=1S/C19H23NO5S/c20-26(22,23)25-14-1-2-17-15(6-14)16(21)7-18(24-17)19-8-11-3-12(9-19)5-13(4-11)10-19/h1-2,6,11-13,18H,3-5,7-10H2,(H2,20,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Research Institute Vienna
Curated by ChEMBL
| Assay Description
Inhibition of steroid sulfatase |
J Med Chem 46: 5091-4 (2003)
Article DOI: 10.1021/jm030926s
BindingDB Entry DOI: 10.7270/Q2RF5VR1 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50118574
(CHEMBL137119 | Sulfamic acid 4-oxo-2-phenethyl-4H-...)Show InChI InChI=1S/C17H15NO5S/c18-24(20,21)23-14-8-9-17-15(10-14)16(19)11-13(22-17)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H2,18,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Research Institute Vienna
Curated by ChEMBL
| Assay Description
Inhibition of steroid sulfatase |
J Med Chem 46: 5091-4 (2003)
Article DOI: 10.1021/jm030926s
BindingDB Entry DOI: 10.7270/Q2RF5VR1 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50118567
(CHEMBL137692 | Sulfamic acid 2-nonyl-4-oxo-4H-chro...)Show InChI InChI=1S/C18H25NO5S/c1-2-3-4-5-6-7-8-9-14-13-17(20)16-12-15(24-25(19,21)22)10-11-18(16)23-14/h10-13H,2-9H2,1H3,(H2,19,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Novartis Research Institute Vienna
Curated by ChEMBL
| Assay Description
Inhibition of steroid sulfatase |
J Med Chem 46: 5091-4 (2003)
Article DOI: 10.1021/jm030926s
BindingDB Entry DOI: 10.7270/Q2RF5VR1 |
More data for this
Ligand-Target Pair | |
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