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 |
|---|
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50228334
(CHEMBL2112085)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CCC2NC(=O)COCC(O)=O)ccc3O |THB:10:9:14:4.5.6| Show InChI InChI=1S/C21H26N2O7/c1-23-7-6-20-17-11-2-3-13(24)18(17)30-19(20)12(4-5-21(20,28)14(23)8-11)22-15(25)9-29-10-16(26)27/h2-3,12,14,19,24,28H,4-10H2,1H3,(H,22,25)(H,26,27)/t12?,14-,19+,20+,21-/m1/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 32: 2068-71 (1989)
BindingDB Entry DOI: 10.7270/Q2N30067 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50228330
(CHEMBL2112087)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CCC2NC(=O)C(N)CC(O)=O)ccc3O |THB:10:9:14:4.5.6| Show InChI InChI=1S/C21H27N3O6/c1-24-7-6-20-16-10-2-3-13(25)17(16)30-18(20)12(4-5-21(20,29)14(24)8-10)23-19(28)11(22)9-15(26)27/h2-3,11-12,14,18,25,29H,4-9,22H2,1H3,(H,23,28)(H,26,27)/t11?,12?,14-,18+,20+,21-/m1/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 32: 2068-71 (1989)
BindingDB Entry DOI: 10.7270/Q2N30067 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50228329
(CHEMBL2112088)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CCC2NC(=O)\C=C/C(O)=O)ccc3O |THB:10:9:14:4.5.6| Show InChI InChI=1S/C21H24N2O6/c1-23-9-8-20-17-11-2-3-13(24)18(17)29-19(20)12(22-15(25)4-5-16(26)27)6-7-21(20,28)14(23)10-11/h2-5,12,14,19,24,28H,6-10H2,1H3,(H,22,25)(H,26,27)/b5-4-/t12?,14-,19+,20+,21-/m1/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in rat liver |
J Med Chem 32: 2068-71 (1989)
BindingDB Entry DOI: 10.7270/Q2N30067 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50228331
(CHEMBL2112083)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CCC2NC(=O)\C=C\C(O)=O)ccc3O |THB:10:9:14:4.5.6| Show InChI InChI=1S/C21H24N2O6/c1-23-9-8-20-17-11-2-3-13(24)18(17)29-19(20)12(22-15(25)4-5-16(26)27)6-7-21(20,28)14(23)10-11/h2-5,12,14,19,24,28H,6-10H2,1H3,(H,22,25)(H,26,27)/b5-4+/t12?,14-,19+,20+,21-/m1/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver dihydrofolate reductase. |
J Med Chem 32: 2068-71 (1989)
BindingDB Entry DOI: 10.7270/Q2N30067 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50228332
(CHEMBL2112079)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CCC2NC(=O)CCC(O)=O)ccc3O |THB:10:9:14:4.5.6| Show InChI InChI=1S/C21H26N2O6/c1-23-9-8-20-17-11-2-3-13(24)18(17)29-19(20)12(22-15(25)4-5-16(26)27)6-7-21(20,28)14(23)10-11/h2-3,12,14,19,24,28H,4-10H2,1H3,(H,22,25)(H,26,27)/t12?,14-,19+,20+,21-/m1/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
In vitro inhibition of dihydrofolate reductase of Escherichia coli |
J Med Chem 32: 2068-71 (1989)
BindingDB Entry DOI: 10.7270/Q2N30067 |
More data for this
Ligand-Target Pair | |
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