Found 9 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 |
|---|
Tyrosinase
(Homo sapiens (Human)) | BDBM50172095
(CHEBI:69084 | Glyasperin D)Show SMILES [#6]-[#8]-c1cc2-[#8]-[#6]-[#6@H](-[#6]-c2c(-[#8]-[#6])c1-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8])cc1-[#8] Show InChI InChI=1S/C22H26O5/c1-13(2)5-7-17-20(25-3)11-21-18(22(17)26-4)9-14(12-27-21)16-8-6-15(23)10-19(16)24/h5-6,8,10-11,14,23-24H,7,9,12H2,1-4H3/t14-/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of tyrosinase (unknown origin) using L-tyrosine as substrate assessed as oxidation of L-tyrosine after 15 mins |
J Nat Prod 79: 281-92 (2016)
Article DOI: 10.1021/acs.jnatprod.5b00877
BindingDB Entry DOI: 10.7270/Q20V8FPM |
More data for this
Ligand-Target Pair | |
Tyrosinase
(Homo sapiens (Human)) | BDBM50172096
(CHEBI:69089 | Glyasperin C)Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-[#6]-[#6@H](-[#6]-c12)-c1ccc(-[#8])cc1-[#8] |r| Show InChI InChI=1S/C21H24O5/c1-12(2)4-6-16-19(24)10-20-17(21(16)25-3)8-13(11-26-20)15-7-5-14(22)9-18(15)23/h4-5,7,9-10,13,22-24H,6,8,11H2,1-3H3/t13-/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 177 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of tyrosinase (unknown origin) using L-tyrosine as substrate assessed as oxidation of L-tyrosine after 15 mins |
J Nat Prod 79: 281-92 (2016)
Article DOI: 10.1021/acs.jnatprod.5b00877
BindingDB Entry DOI: 10.7270/Q20V8FPM |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM10404
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition AChE (unknown origin) using ATCI as substrate assessed as hydrolysis of ATCI after 10 mins measured every 1 min for 10 times |
J Nat Prod 79: 281-92 (2016)
Article DOI: 10.1021/acs.jnatprod.5b00877
BindingDB Entry DOI: 10.7270/Q20V8FPM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50172094
(CHEMBL3808919)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(c1-[#8])-c1coc2cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1=O Show InChI InChI=1S/C25H26O6/c1-13(2)5-7-16-19(26)10-9-15(23(16)28)18-12-31-21-11-20(27)17(8-6-14(3)4)24(29)22(21)25(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PTP1B assessed as hydrolysis of p-nitrophenyl phosphate |
J Nat Prod 79: 281-92 (2016)
Article DOI: 10.1021/acs.jnatprod.5b00877
BindingDB Entry DOI: 10.7270/Q20V8FPM |
More data for this
Ligand-Target Pair | |
Tyrosinase
(Homo sapiens (Human)) | BDBM7462
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of tyrosinase (unknown origin) using L-tyrosine as substrate assessed as oxidation of L-tyrosine after 15 mins |
J Nat Prod 79: 281-92 (2016)
Article DOI: 10.1021/acs.jnatprod.5b00877
BindingDB Entry DOI: 10.7270/Q20V8FPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50172093
(CHEMBL3809403)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(cc(-[#8])c1-[#8])-c1coc2cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1=O Show InChI InChI=1S/C25H26O6/c1-13(2)5-7-15-9-16(10-20(27)23(15)28)18-12-31-21-11-19(26)17(8-6-14(3)4)24(29)22(21)25(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PTP1B assessed as hydrolysis of p-nitrophenyl phosphate |
J Nat Prod 79: 281-92 (2016)
Article DOI: 10.1021/acs.jnatprod.5b00877
BindingDB Entry DOI: 10.7270/Q20V8FPM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50148911
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PTP1B assessed as hydrolysis of p-nitrophenyl phosphate |
J Nat Prod 79: 281-92 (2016)
Article DOI: 10.1021/acs.jnatprod.5b00877
BindingDB Entry DOI: 10.7270/Q20V8FPM |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50172097
(CHEMBL3809337)Show SMILES [#6]-[#8]-c1cc2occ(-c3ccc(-[#8])cc3-[#8])c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C21H20O6/c1-11(2)4-6-14-17(26-3)9-18-19(20(14)24)21(25)15(10-27-18)13-7-5-12(22)8-16(13)23/h4-5,7-10,22-24H,6H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition AChE (unknown origin) using ATCI as substrate assessed as hydrolysis of ATCI after 10 mins measured every 1 min for 10 times |
J Nat Prod 79: 281-92 (2016)
Article DOI: 10.1021/acs.jnatprod.5b00877
BindingDB Entry DOI: 10.7270/Q20V8FPM |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50172098
(CHEBI:69082 | Licoricidin)Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-[#6]-[#6@H](-[#6]-c12)-c1ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8] |r| Show InChI InChI=1S/C26H32O5/c1-15(2)6-8-19-22(27)11-10-18(25(19)29)17-12-21-24(31-14-17)13-23(28)20(26(21)30-5)9-7-16(3)4/h6-7,10-11,13,17,27-29H,8-9,12,14H2,1-5H3/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition AChE (unknown origin) using ATCI as substrate assessed as hydrolysis of ATCI after 10 mins measured every 1 min for 10 times |
J Nat Prod 79: 281-92 (2016)
Article DOI: 10.1021/acs.jnatprod.5b00877
BindingDB Entry DOI: 10.7270/Q20V8FPM |
More data for this
Ligand-Target Pair | |
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