Found 5 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 |
|---|
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50090177
(CHEMBL3581568)Show SMILES [H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])Cc1c2ccc([C@H](C)[C@]2([H])NC[C@@H](C)C[C@H]2O)c1C)OC(C)=O |r,t:3| Show InChI InChI=1S/C29H41NO3/c1-16-12-27(32)28(30-15-16)18(3)22-8-9-23-24-7-6-20-13-21(33-19(4)31)10-11-29(20,5)26(24)14-25(23)17(22)2/h6,8-9,16,18,21,24,26-28,30,32H,7,10-15H2,1-5H3/t16-,18-,21-,24-,26-,27+,28-,29-/m0/s1 | 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 | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chungnam National University
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate after 30 mins |
J Nat Prod 78: 803-10 (2015)
Article DOI: 10.1021/np501049g
BindingDB Entry DOI: 10.7270/Q2K93970 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50090181
(CHEMBL3581564)Show SMILES [H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]1(CC[C@]3([H])C(C(=O)[C@@]4([H])[C@@]3([H])CC=C3C[C@H](CC[C@]43C)OC=O)=C1C)O2 |r,c:38,t:26| Show InChI InChI=1S/C28H39NO4/c1-15-11-22-25(29-13-15)17(3)28(33-22)10-8-20-21-6-5-18-12-19(32-14-30)7-9-27(18,4)24(21)26(31)23(20)16(28)2/h5,14-15,17,19-22,24-25,29H,6-13H2,1-4H3/t15-,17+,19-,20-,21-,22+,24+,25-,27-,28-/m0/s1 | 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 | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chungnam National University
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate after 30 mins |
J Nat Prod 78: 803-10 (2015)
Article DOI: 10.1021/np501049g
BindingDB Entry DOI: 10.7270/Q2K93970 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50090178
(CHEMBL3581567)Show SMILES [H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]1(CC[C@]3([H])C(C(=O)[C@@]4([H])[C@@]3([H])CC[C@]3([H])C[C@@H](O)C[C@@H](O)[C@]43C)=C1C)O2 |r,c:38| Show InChI InChI=1S/C27H41NO4/c1-13-9-20-24(28-12-13)15(3)27(32-20)8-7-18-19-6-5-16-10-17(29)11-21(30)26(16,4)23(19)25(31)22(18)14(27)2/h13,15-21,23-24,28-30H,5-12H2,1-4H3/t13-,15+,16+,17+,18-,19-,20+,21+,23+,24-,26+,27-/m0/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chungnam National University
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate after 30 mins |
J Nat Prod 78: 803-10 (2015)
Article DOI: 10.1021/np501049g
BindingDB Entry DOI: 10.7270/Q2K93970 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50090180
(CHEMBL3581565)Show SMILES [H][C@@]12C[C@@]3([H])[C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC=O)[C@]1([H])C[C@H](O)[C@@]1([H])[C@@]2([H])CN2C[C@@H](C)CC[C@@]2([H])[C@@]1(C)O |r,t:8| Show InChI InChI=1S/C28H43NO4/c1-16-4-7-25-28(3,32)26-22(14-29(25)13-16)20-11-23-19(21(20)12-24(26)31)6-5-17-10-18(33-15-30)8-9-27(17,23)2/h5,15-16,18-26,31-32H,4,6-14H2,1-3H3/t16-,18-,19-,20+,21-,22-,23-,24-,25-,26+,27-,28+/m0/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chungnam National University
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate after 30 mins |
J Nat Prod 78: 803-10 (2015)
Article DOI: 10.1021/np501049g
BindingDB Entry DOI: 10.7270/Q2K93970 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50090179
(CHEMBL3581566)Show SMILES [H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]1(CC[C@]3([H])C(=C[C@@]4([H])[C@@]3([H])CC=C3C[C@@H](O)CC[C@]43C)[C@@]1(C)O)O2 |r,c:17,t:25| Show InChI InChI=1S/C27H41NO3/c1-15-11-23-24(28-14-15)16(2)27(31-23)10-8-20-19-6-5-17-12-18(29)7-9-25(17,3)21(19)13-22(20)26(27,4)30/h5,13,15-16,18-21,23-24,28-30H,6-12,14H2,1-4H3/t15-,16+,18-,19-,20-,21-,23+,24-,25-,26+,27+/m0/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chungnam National University
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate after 30 mins |
J Nat Prod 78: 803-10 (2015)
Article DOI: 10.1021/np501049g
BindingDB Entry DOI: 10.7270/Q2K93970 |
More data for this
Ligand-Target Pair | |
Search and Browse
