Found 16 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 |
|---|
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)) | 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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
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)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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
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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 | 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)) | 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
KEGG
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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