Found 4 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 |
|---|
Sex hormone-binding globulin
(Homo sapiens (Human)) | BDBM50240916
((-)-3,4-divanillyltetrahydrofuran | (3R,4R)-3,4-Bi...)Show SMILES COc1cc(C[C@H]2COC[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O |r| Show InChI InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Bayreuth
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human serum SHBG |
J Nat Prod 61: 119-21 (1998)
Article DOI: 10.1021/np9701743
BindingDB Entry DOI: 10.7270/Q25M66M6 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sex hormone-binding globulin
(Homo sapiens (Human)) | BDBM50240921
((-)-matairesinol | (2R,3R)-2,3-Bis(4-hydroxy-3-met...)Show SMILES COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O |r| Show InChI InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Bayreuth
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human serum SHBG |
J Nat Prod 61: 119-21 (1998)
Article DOI: 10.1021/np9701743
BindingDB Entry DOI: 10.7270/Q25M66M6 |
More data for this
Ligand-Target Pair | |
Sex hormone-binding globulin
(Homo sapiens (Human)) | BDBM50250505
((-)-(2R,3R)-Secoisolariciresinol | (-)-secoisolari...)Show SMILES COc1cc(C[C@@H](CO)[C@H](CO)C(O)c2ccc(O)c(OC)c2)ccc1O |r| Show InChI InChI=1S/C20H26O7/c1-26-18-8-12(3-5-16(18)23)7-14(10-21)15(11-22)20(25)13-4-6-17(24)19(9-13)27-2/h3-6,8-9,14-15,20-25H,7,10-11H2,1-2H3/t14-,15-,20?/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Bayreuth
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human serum SHBG |
J Nat Prod 61: 119-21 (1998)
Article DOI: 10.1021/np9701743
BindingDB Entry DOI: 10.7270/Q25M66M6 |
More data for this
Ligand-Target Pair | |
Sex hormone-binding globulin
(Homo sapiens (Human)) | BDBM50250487
((+/-)-enterolactone | CHEMBL465152)Show InChI InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Bayreuth
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human serum SHBG |
J Nat Prod 61: 119-21 (1998)
Article DOI: 10.1021/np9701743
BindingDB Entry DOI: 10.7270/Q25M66M6 |
More data for this
Ligand-Target Pair | |
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