Found 10 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 |
|---|
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor
(RAT-NEONATAL RAT-Rattus norvegicus (rat)) | BDBM50228318
(CHEMBL279807)Show SMILES [H][C@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(C)(=O)=O Show InChI InChI=1S/C18H26N2O3S/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3/t14-,17-,18+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.355 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver dihydrofolate reductase. |
J Med Chem 32: 2034-6 (1989)
BindingDB Entry DOI: 10.7270/Q2WH2S78 |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor
(RAT-NEONATAL RAT-Rattus norvegicus (rat)) | BDBM50228316
(CHEMBL62912)Show InChI InChI=1S/C18H26N2O3S/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 0.661 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 32: 2034-6 (1989)
BindingDB Entry DOI: 10.7270/Q2WH2S78 |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor
(RAT-NEONATAL RAT-Rattus norvegicus (rat)) | BDBM50019848
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver dihydrofolate reductase. |
J Med Chem 32: 2034-6 (1989)
BindingDB Entry DOI: 10.7270/Q2WH2S78 |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor
(RAT-NEONATAL RAT-Rattus norvegicus (rat)) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Antibacterial activity against Escherichia coli |
J Med Chem 32: 2034-6 (1989)
BindingDB Entry DOI: 10.7270/Q2WH2S78 |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 32: 2034-6 (1989)
BindingDB Entry DOI: 10.7270/Q2WH2S78 |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor
(RAT-NEONATAL RAT-Rattus norvegicus (rat)) | BDBM50228317
(CHEMBL62833)Show SMILES [H][C@@]12CCCN([C@@]1([H])C[C@@]1([H])N(CCc3cc(OC)ccc13)C2)S(C)(=O)=O Show InChI InChI=1S/C18H26N2O3S/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3/t14-,17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 479 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver dihydrofolate reductase. |
J Med Chem 32: 2034-6 (1989)
BindingDB Entry DOI: 10.7270/Q2WH2S78 |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50019848
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Antibacterial activity against Escherichia coli |
J Med Chem 32: 2034-6 (1989)
BindingDB Entry DOI: 10.7270/Q2WH2S78 |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50228318
(CHEMBL279807)Show SMILES [H][C@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(C)(=O)=O Show InChI InChI=1S/C18H26N2O3S/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3/t14-,17-,18+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 5.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 32: 2034-6 (1989)
BindingDB Entry DOI: 10.7270/Q2WH2S78 |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50228317
(CHEMBL62833)Show SMILES [H][C@@]12CCCN([C@@]1([H])C[C@@]1([H])N(CCc3cc(OC)ccc13)C2)S(C)(=O)=O Show InChI InChI=1S/C18H26N2O3S/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3/t14-,17-,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of dihydrofolate reductase of Escherichia coli |
J Med Chem 32: 2034-6 (1989)
BindingDB Entry DOI: 10.7270/Q2WH2S78 |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50228316
(CHEMBL62912)Show InChI InChI=1S/C18H26N2O3S/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of rat liver dihydrofolate reductase. |
J Med Chem 32: 2034-6 (1989)
BindingDB Entry DOI: 10.7270/Q2WH2S78 |
More data for this
Ligand-Target Pair | |
Search and Browse
