Found 42 hits with Last Name = 'demkowicz' and Initial = 's' 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)) | 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 | 0.0650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02220
BindingDB Entry DOI: 10.7270/Q20869C9 |
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 | 0.0650 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of STS in human MCF7 cells |
Eur J Med Chem 101: 358-66 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.051
BindingDB Entry DOI: 10.7270/Q29C706J |
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 | 0.0650 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of STS in human MCF7 cells |
Eur J Med Chem 128: 79-87 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50604012
(CHEMBL5199004)Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1cn(nn1)-c1cc(F)cc(F)c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02220
BindingDB Entry DOI: 10.7270/Q20869C9 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM13058
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02220
BindingDB Entry DOI: 10.7270/Q20869C9 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50604011
(CHEMBL5205557)Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1cn(nn1)-c1cccc(F)c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02220
BindingDB Entry DOI: 10.7270/Q20869C9 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50604009
(CHEMBL5170413)Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1cn(nn1)-c1cc(Cl)cc(Cl)c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02220
BindingDB Entry DOI: 10.7270/Q20869C9 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50604008
(CHEMBL5179747)Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1cn(nn1)-c1cccc(Cl)c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02220
BindingDB Entry DOI: 10.7270/Q20869C9 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50604010
(CHEMBL5169672)Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1cn(nn1)-c1ccc(c(c1C(F)(F)F)C(F)(F)F)C(F)(F)F | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02220
BindingDB Entry DOI: 10.7270/Q20869C9 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50116170
(CHEMBL3612355)Show SMILES [H][C@@]12CC=C(C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(OS(N)(=O)=O)cc3CC[C@@]21[H] |r,t:3| Show InChI InChI=1S/C25H36N2O4S/c1-15(2)27(16(3)4)24(28)23-11-10-22-21-8-6-17-14-18(31-32(26,29)30)7-9-19(17)20(21)12-13-25(22,23)5/h7,9,11,14-16,20-22H,6,8,10,12-13H2,1-5H3,(H2,26,29,30)/t20-,21-,22+,25+/m1/s1 | PDB
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human STS transfected in CHO cells using MUS as substrate after 30 mins by fluorescence assay |
Eur J Med Chem 101: 358-66 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.051
BindingDB Entry DOI: 10.7270/Q29C706J |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50116171
(CHEMBL3612354)Show SMILES NS(=O)(=O)Oc1ccc2C3=C(CCCCC3)C(O)Oc2c1 |t:9| Show InChI InChI=1S/C14H17NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8,14,16H,1-5H2,(H2,15,17,18) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta STS |
Eur J Med Chem 101: 358-66 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.051
BindingDB Entry DOI: 10.7270/Q29C706J |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50604012
(CHEMBL5199004)Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1cn(nn1)-c1cc(F)cc(F)c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02220
BindingDB Entry DOI: 10.7270/Q20869C9 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50501553
(CHEMBL4087245)Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)c4ccc(F)c(F)c4)cc3)c(=O)oc2c1 Show InChI InChI=1S/C22H14F2N2O6S/c23-18-8-4-14(10-19(18)24)21(27)26-15-5-1-12(2-6-15)17-9-13-3-7-16(32-33(25,29)30)11-20(13)31-22(17)28/h1-11H,(H,26,27)(H2,25,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins |
Eur J Med Chem 128: 79-87 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50501546
(CHEMBL4099477)Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)Cc4cc(ccc4C(F)(F)F)C(F)(F)F)cc3)c(=O)oc2c1 Show InChI InChI=1S/C25H16F6N2O6S/c26-24(27,28)16-4-8-20(25(29,30)31)15(9-16)11-22(34)33-17-5-1-13(2-6-17)19-10-14-3-7-18(39-40(32,36)37)12-21(14)38-23(19)35/h1-10,12H,11H2,(H,33,34)(H2,32,36,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins |
Eur J Med Chem 128: 79-87 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50501554
(CHEMBL4097394)Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)c(=O)oc2c1 Show InChI InChI=1S/C22H15FN2O6S/c23-16-6-1-14(2-7-16)21(26)25-17-8-3-13(4-9-17)19-11-15-5-10-18(31-32(24,28)29)12-20(15)30-22(19)27/h1-12H,(H,25,26)(H2,24,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins |
Eur J Med Chem 128: 79-87 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50501552
(CHEMBL4105101)Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)c(=O)oc2c1 Show InChI InChI=1S/C22H11F5N2O6S/c23-16-15(17(24)19(26)20(27)18(16)25)21(30)29-11-4-1-9(2-5-11)13-7-10-3-6-12(35-36(28,32)33)8-14(10)34-22(13)31/h1-8H,(H,29,30)(H2,28,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins |
Eur J Med Chem 128: 79-87 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50501551
(CHEMBL4094925)Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)Cc4ccccc4)cc3)c(=O)oc2c1 Show InChI InChI=1S/C23H18N2O6S/c24-32(28,29)31-19-11-8-17-13-20(23(27)30-21(17)14-19)16-6-9-18(10-7-16)25-22(26)12-15-4-2-1-3-5-15/h1-11,13-14H,12H2,(H,25,26)(H2,24,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins |
Eur J Med Chem 128: 79-87 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50501543
(CHEMBL4090835)Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(F)c(F)c3)c(=O)oc2c1 Show InChI InChI=1S/C15H9F2NO5S/c16-12-4-2-8(6-13(12)17)11-5-9-1-3-10(23-24(18,20)21)7-14(9)22-15(11)19/h1-7H,(H2,18,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins |
Eur J Med Chem 128: 79-87 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50501544
(CHEMBL4061169)Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(cc3)[N+]([O-])=O)c(=O)oc2c1 Show InChI InChI=1S/C15H10N2O7S/c16-25(21,22)24-12-6-3-10-7-13(15(18)23-14(10)8-12)9-1-4-11(5-2-9)17(19)20/h1-8H,(H2,16,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins |
Eur J Med Chem 128: 79-87 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50501542
(CHEMBL4069839)Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3cc(F)c(F)c(F)c3)c(=O)oc2c1 Show InChI InChI=1S/C15H8F3NO5S/c16-11-4-8(5-12(17)14(11)18)10-3-7-1-2-9(24-25(19,21)22)6-13(7)23-15(10)20/h1-6H,(H2,19,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins |
Eur J Med Chem 128: 79-87 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50501549
(CHEMBL4102669)Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)Cc4cc(F)c(F)c(F)c4)cc3)c(=O)oc2c1 Show InChI InChI=1S/C23H15F3N2O6S/c24-18-7-12(8-19(25)22(18)26)9-21(29)28-15-4-1-13(2-5-15)17-10-14-3-6-16(34-35(27,31)32)11-20(14)33-23(17)30/h1-8,10-11H,9H2,(H,28,29)(H2,27,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins |
Eur J Med Chem 128: 79-87 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50501548
(CHEMBL4078408)Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)Cc4c(F)c(F)c(F)c(F)c4F)cc3)c(=O)oc2c1 Show InChI InChI=1S/C23H13F5N2O6S/c24-18-15(19(25)21(27)22(28)20(18)26)9-17(31)30-12-4-1-10(2-5-12)14-7-11-3-6-13(36-37(29,33)34)8-16(11)35-23(14)32/h1-8H,9H2,(H,30,31)(H2,29,33,34) | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins |
Eur J Med Chem 128: 79-87 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50501550
(CHEMBL4067505)Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)Cc4ccc(F)c(F)c4)cc3)c(=O)oc2c1 Show InChI InChI=1S/C23H16F2N2O6S/c24-19-8-1-13(9-20(19)25)10-22(28)27-16-5-2-14(3-6-16)18-11-15-4-7-17(33-34(26,30)31)12-21(15)32-23(18)29/h1-9,11-12H,10H2,(H,27,28)(H2,26,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins |
Eur J Med Chem 128: 79-87 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50501547
(CHEMBL4072568)Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)Cc4ccc(F)c(c4)C(F)(F)F)cc3)c(=O)oc2c1 Show InChI InChI=1S/C24H16F4N2O6S/c25-20-8-1-13(9-19(20)24(26,27)28)10-22(31)30-16-5-2-14(3-6-16)18-11-15-4-7-17(36-37(29,33)34)12-21(15)35-23(18)32/h1-9,11-12H,10H2,(H,30,31)(H2,29,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins |
Eur J Med Chem 128: 79-87 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50051829
(4-methyl-2-oxo-2H-chromen-7-yl sulfamate | CHEMBL1...)Show InChI InChI=1S/C10H9NO5S/c1-6-4-10(12)15-9-5-7(2-3-8(6)9)16-17(11,13)14/h2-5H,1H3,(H2,11,13,14) | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of placental microsomal steroid sulfatase (unknown origin) |
Eur J Med Chem 128: 79-87 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50051829
(4-methyl-2-oxo-2H-chromen-7-yl sulfamate | CHEMBL1...)Show InChI InChI=1S/C10H9NO5S/c1-6-4-10(12)15-9-5-7(2-3-8(6)9)16-17(11,13)14/h2-5H,1H3,(H2,11,13,14) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02220
BindingDB Entry DOI: 10.7270/Q20869C9 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50501545
(CHEMBL4083045)Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)Cc4ccc(OC(F)(F)F)cc4)cc3)c(=O)oc2c1 Show InChI InChI=1S/C24H17F3N2O7S/c25-24(26,27)35-18-8-1-14(2-9-18)11-22(30)29-17-6-3-15(4-7-17)20-12-16-5-10-19(36-37(28,32)33)13-21(16)34-23(20)31/h1-10,12-13H,11H2,(H,29,30)(H2,28,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins |
Eur J Med Chem 128: 79-87 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50501555
(CHEMBL4079364)Show SMILES NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)c4ccccc4)cc3)c(=O)oc2c1 Show InChI InChI=1S/C22H16N2O6S/c23-31(27,28)30-18-11-8-16-12-19(22(26)29-20(16)13-18)14-6-9-17(10-7-14)24-21(25)15-4-2-1-3-5-15/h1-13H,(H,24,25)(H2,23,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins |
Eur J Med Chem 128: 79-87 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50116187
(CHEMBL3612348)Show SMILES OP(=S)(Oc1ccc2c3CCCCc3c(=O)oc2c1)Oc1ccc2c3CCCCc3c(=O)oc2c1 Show InChI InChI=1S/C26H23O7PS/c27-25-21-7-3-1-5-17(21)19-11-9-15(13-23(19)30-25)32-34(29,35)33-16-10-12-20-18-6-2-4-8-22(18)26(28)31-24(20)14-16/h9-14H,1-8H2,(H,29,35) | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta STS using NPS as substrate after 15 mins by microplate reader analysis |
Eur J Med Chem 101: 358-66 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.051
BindingDB Entry DOI: 10.7270/Q29C706J |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50116173
(CHEMBL3612353)Show InChI InChI=1S/C12H13NO5S/c13-19(15,16)18-7-4-5-9-8-2-1-3-10(8)12(14)17-11(9)6-7/h4-6,12,14H,1-3H2,(H2,13,15,16) | PDB
MMDB
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 |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta STS using NPS as substrate after 15 mins by microplate reader analysis |
Eur J Med Chem 101: 358-66 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.051
BindingDB Entry DOI: 10.7270/Q29C706J |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50501541
(CHEMBL11548)Show InChI InChI=1S/C9H9NO4S/c10-15(11,12)14-8-4-3-7-2-1-5-13-9(7)6-8/h1-4,6H,5H2,(H2,10,11,12) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins |
Eur J Med Chem 128: 79-87 (2017)
Article DOI: 10.1016/j.ejmech.2017.01.028
BindingDB Entry DOI: 10.7270/Q2KD21WV |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50116183
(CHEMBL3612349)Show SMILES OP(=S)(Oc1ccc2c3CCCCCc3c(=O)oc2c1)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C28H27O7PS/c29-27-23-9-5-1-3-7-19(23)21-13-11-17(15-25(21)32-27)34-36(31,37)35-18-12-14-22-20-8-4-2-6-10-24(20)28(30)33-26(22)16-18/h11-16H,1-10H2,(H,31,37) | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta STS using NPS as substrate after 15 mins by microplate reader analysis |
Eur J Med Chem 101: 358-66 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.051
BindingDB Entry DOI: 10.7270/Q29C706J |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50116189
(CHEMBL3612307)Show SMILES COP(=S)(Oc1ccc2c3CCCCCc3c(=O)oc2c1)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C29H29O7PS/c1-32-37(38,35-18-12-14-22-20-8-4-2-6-10-24(20)28(30)33-26(22)16-18)36-19-13-15-23-21-9-5-3-7-11-25(21)29(31)34-27(23)17-19/h12-17H,2-11H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta STS using NPS as substrate after 15 mins by microplate reader analysis |
Eur J Med Chem 101: 358-66 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.051
BindingDB Entry DOI: 10.7270/Q29C706J |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50116193
(CHEMBL3612304)Show SMILES ClP(=S)(Oc1ccc2c3CCCCCc3c(=O)oc2c1)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C28H26ClO6PS/c29-36(37,34-17-11-13-21-19-7-3-1-5-9-23(19)27(30)32-25(21)15-17)35-18-12-14-22-20-8-4-2-6-10-24(20)28(31)33-26(22)16-18/h11-16H,1-10H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta STS using NPS as substrate after 15 mins by microplate reader analysis |
Eur J Med Chem 101: 358-66 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.051
BindingDB Entry DOI: 10.7270/Q29C706J |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50116195
(CHEMBL3612303)Show SMILES ClP(=S)(Oc1ccc2c3CCCCc3c(=O)oc2c1)Oc1ccc2c3CCCCc3c(=O)oc2c1 Show InChI InChI=1S/C26H22ClO6PS/c27-34(35,32-15-9-11-19-17-5-1-3-7-21(17)25(28)30-23(19)13-15)33-16-10-12-20-18-6-2-4-8-22(18)26(29)31-24(20)14-16/h9-14H,1-8H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta STS using NPS as substrate after 15 mins by microplate reader analysis |
Eur J Med Chem 101: 358-66 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.051
BindingDB Entry DOI: 10.7270/Q29C706J |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50116190
(CHEMBL3612306)Show SMILES COP(=S)(Oc1ccc2c3CCCCc3c(=O)oc2c1)Oc1ccc2c3CCCCc3c(=O)oc2c1 Show InChI InChI=1S/C27H25O7PS/c1-30-35(36,33-16-10-12-20-18-6-2-4-8-22(18)26(28)31-24(20)14-16)34-17-11-13-21-19-7-3-5-9-23(19)27(29)32-25(21)15-17/h10-15H,2-9H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta STS using NPS as substrate after 15 mins by microplate reader analysis |
Eur J Med Chem 101: 358-66 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.051
BindingDB Entry DOI: 10.7270/Q29C706J |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50116188
(CHEMBL3612308)Show SMILES OP(=S)(Oc1ccc2c3CCCc3c(=O)oc2c1)Oc1ccc2c3CCCc3c(=O)oc2c1 Show InChI InChI=1S/C24H19O7PS/c25-23-19-5-1-3-15(19)17-9-7-13(11-21(17)28-23)30-32(27,33)31-14-8-10-18-16-4-2-6-20(16)24(26)29-22(18)12-14/h7-12H,1-6H2,(H,27,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta STS using NPS as substrate after 15 mins by microplate reader analysis |
Eur J Med Chem 101: 358-66 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.051
BindingDB Entry DOI: 10.7270/Q29C706J |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50116196
(CHEMBL3612302)Show SMILES ClP(=S)(Oc1ccc2c3CCCc3c(=O)oc2c1)Oc1ccc2c3CCCc3c(=O)oc2c1 Show InChI InChI=1S/C24H18ClO6PS/c25-32(33,30-13-7-9-17-15-3-1-5-19(15)23(26)28-21(17)11-13)31-14-8-10-18-16-4-2-6-20(16)24(27)29-22(18)12-14/h7-12H,1-6H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta STS using NPS as substrate after 15 mins by microplate reader analysis |
Eur J Med Chem 101: 358-66 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.051
BindingDB Entry DOI: 10.7270/Q29C706J |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50116182
(CHEMBL3612350)Show SMILES NP(=S)(Oc1ccc2c3CCCc3c(=O)oc2c1)Oc1ccc2c3CCCc3c(=O)oc2c1 Show InChI InChI=1S/C24H20NO6PS/c25-32(33,30-13-7-9-17-15-3-1-5-19(15)23(26)28-21(17)11-13)31-14-8-10-18-16-4-2-6-20(16)24(27)29-22(18)12-14/h7-12H,1-6H2,(H2,25,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta STS using NPS as substrate after 15 mins by microplate reader analysis |
Eur J Med Chem 101: 358-66 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.051
BindingDB Entry DOI: 10.7270/Q29C706J |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50116192
(CHEMBL3612305)Show SMILES COP(=S)(Oc1ccc2c3CCCc3c(=O)oc2c1)Oc1ccc2c3CCCc3c(=O)oc2c1 Show InChI InChI=1S/C25H21O7PS/c1-28-33(34,31-14-8-10-18-16-4-2-6-20(16)24(26)29-22(18)12-14)32-15-9-11-19-17-5-3-7-21(17)25(27)30-23(19)13-15/h8-13H,2-7H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta STS using NPS as substrate after 15 mins by microplate reader analysis |
Eur J Med Chem 101: 358-66 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.051
BindingDB Entry DOI: 10.7270/Q29C706J |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50116175
(CHEMBL3612352)Show SMILES NP(=S)(Oc1ccc2c3CCCCCc3c(=O)oc2c1)Oc1ccc2c3CCCCCc3c(=O)oc2c1 Show InChI InChI=1S/C28H28NO6PS/c29-36(37,34-17-11-13-21-19-7-3-1-5-9-23(19)27(30)32-25(21)15-17)35-18-12-14-22-20-8-4-2-6-10-24(20)28(31)33-26(22)16-18/h11-16H,1-10H2,(H2,29,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta STS using NPS as substrate after 15 mins by microplate reader analysis |
Eur J Med Chem 101: 358-66 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.051
BindingDB Entry DOI: 10.7270/Q29C706J |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50116180
(CHEMBL3612351)Show SMILES NP(=S)(Oc1ccc2c3CCCCc3c(=O)oc2c1)Oc1ccc2c3CCCCc3c(=O)oc2c1 Show InChI InChI=1S/C26H24NO6PS/c27-34(35,32-15-9-11-19-17-5-1-3-7-21(17)25(28)30-23(19)13-15)33-16-10-12-20-18-6-2-4-8-22(18)26(29)31-24(20)14-16/h9-14H,1-8H2,(H2,27,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gdansk University of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human placenta STS using NPS as substrate after 15 mins by microplate reader analysis |
Eur J Med Chem 101: 358-66 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.051
BindingDB Entry DOI: 10.7270/Q29C706J |
More data for this
Ligand-Target Pair | |
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