Found 235 hits with Last Name = 'richards' and Initial = 'b' 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 opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223637
(Alphacemethadone | Alphacetylmethadol)Show SMILES CC[C@@H](OC(C)=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Patents
| PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223633
(Levomethadone)Show SMILES CCC(=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223637
(Alphacemethadone | Alphacetylmethadol)Show SMILES CC[C@@H](OC(C)=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223631
(Betacetylmethadol)Show SMILES CC[C@H](OC(C)=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223633
(Levomethadone)Show SMILES CCC(=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223640
((S)-Methadone | CHEMBL350719)Show SMILES [H][C@](C)(CC(C(=O)CC)(c1ccccc1)c1ccccc1)N(C)C Show InChI InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223639
(CHEMBL171118)Show InChI InChI=1S/C23H31NO/c1-5-17-24(4)19(3)18-23(22(25)6-2,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h5,7-16,19,22,25H,1,6,17-18H2,2-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223632
(Alphamethadol)Show SMILES CC[C@@H](O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3/t17-,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone opiate receptor binding using rat brain membrane in the absence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223632
(Alphamethadol)Show SMILES CC[C@@H](O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3/t17-,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223631
(Betacetylmethadol)Show SMILES CC[C@H](OC(C)=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PubMed
| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223635
(CHEMBL355396)Show InChI InChI=1S/C24H33NO/c1-4-23(26)24(21-11-7-5-8-12-21,22-13-9-6-10-14-22)17-19(2)25(3)18-20-15-16-20/h5-14,19-20,23,26H,4,15-18H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223636
(CHEMBL173964)Show SMILES CCC(OC(C)=O)C(CC(C)N(C)CC=C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H33NO2/c1-6-18-26(5)20(3)19-25(22-14-10-8-11-15-22,23-16-12-9-13-17-23)24(7-2)28-21(4)27/h6,8-17,20,24H,1,7,18-19H2,2-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone Opioid receptors binding using rat brain membrane in the absence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223634
(CHEMBL1325)Show SMILES CC[C@H](O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3/t17-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223638
(CHEMBL367330)Show SMILES CCC(OC(C)=O)C(CC(C)N(C)CC1CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H35NO2/c1-5-25(29-21(3)28)26(23-12-8-6-9-13-23,24-14-10-7-11-15-24)18-20(2)27(4)19-22-16-17-22/h6-15,20,22,25H,5,16-19H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223639
(CHEMBL171118)Show InChI InChI=1S/C23H31NO/c1-5-17-24(4)19(3)18-23(22(25)6-2,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h5,7-16,19,22,25H,1,6,17-18H2,2-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223640
((S)-Methadone | CHEMBL350719)Show SMILES [H][C@](C)(CC(C(=O)CC)(c1ccccc1)c1ccccc1)N(C)C Show InChI InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223635
(CHEMBL355396)Show InChI InChI=1S/C24H33NO/c1-4-23(26)24(21-11-7-5-8-12-21,22-13-9-6-10-14-22)17-19(2)25(3)18-20-15-16-20/h5-14,19-20,23,26H,4,15-18H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223634
(CHEMBL1325)Show SMILES CC[C@H](O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3/t17-,20-/m0/s1 | PDB
MMDB
Reactome pathway
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CHEMBL
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PC sid
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| 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223636
(CHEMBL173964)Show SMILES CCC(OC(C)=O)C(CC(C)N(C)CC=C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H33NO2/c1-6-18-26(5)20(3)19-25(22-14-10-8-11-15-22,23-16-12-9-13-17-23)24(7-2)28-21(4)27/h6,8-17,20,24H,1,7,18-19H2,2-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
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| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone Opioid receptors binding using rat brain membrane in the presence of 100 mM Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50223638
(CHEMBL367330)Show SMILES CCC(OC(C)=O)C(CC(C)N(C)CC1CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H35NO2/c1-5-25(29-21(3)28)26(23-12-8-6-9-13-23,24-14-10-7-11-15-24)18-20(2)27(4)19-22-16-17-22/h6-15,20,22,25H,5,16-19H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| PubMed
| 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na |
J Med Chem 24: 903-6 (1981)
BindingDB Entry DOI: 10.7270/Q26W9D8D |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348075
(CHEMBL1800705)Show SMILES COc1cccc(NCCC2(CC(C)(C)OC(C)(C)C2)c2ccccc2)c1 Show InChI InChI=1S/C24H33NO2/c1-22(2)17-24(18-23(3,4)27-22,19-10-7-6-8-11-19)14-15-25-20-12-9-13-21(16-20)26-5/h6-13,16,25H,14-15,17-18H2,1-5H3 | KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su... |
J Med Chem 54: 5031-47 (2011)
Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348068
(CHEMBL1800516)Show InChI InChI=1S/C19H24ClNOS/c1-18(2)14-19(9-11-22-18,17-7-4-12-23-17)8-10-21-16-6-3-5-15(20)13-16/h3-7,12-13,21H,8-11,14H2,1-2H3 | KEGG
UniProtKB/SwissProt
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| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su... |
J Med Chem 54: 5031-47 (2011)
Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348065
(CHEMBL1800513)Show InChI InChI=1S/C22H28FNO2/c1-21(2)16-22(11-13-26-21,17-6-4-7-18(23)14-17)10-12-24-19-8-5-9-20(15-19)25-3/h4-9,14-15,24H,10-13,16H2,1-3H3 | KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su... |
J Med Chem 54: 5031-47 (2011)
Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348085
(CHEMBL1800715)Show SMILES COc1cccc(NCC[C@]2(CCOC(C)(C)C2)c2ccccc2)c1 |r| Show InChI InChI=1S/C22H29NO2/c1-21(2)17-22(13-15-25-21,18-8-5-4-6-9-18)12-14-23-19-10-7-11-20(16-19)24-3/h4-11,16,23H,12-15,17H2,1-3H3/t22-/m1/s1 | KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su... |
J Med Chem 54: 5031-47 (2011)
Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348029
(CHEMBL1800426)Show InChI InChI=1S/C22H29NO2/c1-21(2)17-22(13-15-25-21,18-8-5-4-6-9-18)12-14-23-19-10-7-11-20(16-19)24-3/h4-11,16,23H,12-15,17H2,1-3H3 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su... |
J Med Chem 54: 5031-47 (2011)
Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348074
(CHEMBL1800522)Show InChI InChI=1S/C23H31NO/c1-21(2)17-23(18-22(3,4)25-21,19-11-7-5-8-12-19)15-16-24-20-13-9-6-10-14-20/h5-14,24H,15-18H2,1-4H3 | KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su... |
J Med Chem 54: 5031-47 (2011)
Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348066
(CHEMBL1800514)Show InChI InChI=1S/C20H27NO2S/c1-19(2)15-20(10-12-23-19,18-8-5-13-24-18)9-11-21-16-6-4-7-17(14-16)22-3/h4-8,13-14,21H,9-12,15H2,1-3H3 | KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su... |
J Med Chem 54: 5031-47 (2011)
Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49 |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50006932
(CHEMBL3237245)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34) | PDB
MMDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Binding affinity to the Keap1 (321 to 609 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by surface plasmon resonance assa... |
Eur J Med Chem 103: 252-68 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.049
BindingDB Entry DOI: 10.7270/Q25B04BR |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348038
(CHEMBL1800485)Show InChI InChI=1S/C21H26ClNO/c1-20(2)16-21(12-14-24-20,17-7-4-3-5-8-17)11-13-23-19-10-6-9-18(22)15-19/h3-10,15,23H,11-14,16H2,1-2H3 | KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su... |
J Med Chem 54: 5031-47 (2011)
Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49 |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50006932
(CHEMBL3237245)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34) | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Inhibition of Keap1 Kelch domain (unknown origin) /Nrf2 (unknown origin) interaction using fluorescein-labeled 9-mer peptide containing NRF2 Neh2 dom... |
J Med Chem 61: 8029-8047 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01133
BindingDB Entry DOI: 10.7270/Q2G163CR |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348051
(CHEMBL1800498)Show InChI InChI=1S/C21H25ClFNO/c1-20(2)15-21(11-13-25-20,16-6-4-3-5-7-16)10-12-24-17-8-9-19(23)18(22)14-17/h3-9,14,24H,10-13,15H2,1-2H3 | KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su... |
J Med Chem 54: 5031-47 (2011)
Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348054
(CHEMBL1800501)Show SMILES CC1(C)CC(CCNc2cccc(c2)[N+]([O-])=O)(CCO1)c1ccccc1 Show InChI InChI=1S/C21H26N2O3/c1-20(2)16-21(12-14-26-20,17-7-4-3-5-8-17)11-13-22-18-9-6-10-19(15-18)23(24)25/h3-10,15,22H,11-14,16H2,1-2H3 | KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su... |
J Med Chem 54: 5031-47 (2011)
Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49 |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50006932
(CHEMBL3237245)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34) | PDB
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Inhibition of Keap1/Nrf2 complex (unknown origin) |
Bioorg Med Chem Lett 25: 2261-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.019
BindingDB Entry DOI: 10.7270/Q20V8GSC |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348021
(CHEMBL1800418)Show InChI InChI=1S/C22H29NO/c1-18-9-11-20(12-10-18)23-15-13-22(19-7-5-4-6-8-19)14-16-24-21(2,3)17-22/h4-12,23H,13-17H2,1-3H3 | KEGG
UniProtKB/SwissProt
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| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su... |
J Med Chem 54: 5031-47 (2011)
Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348020
(CHEMBL1800417)Show InChI InChI=1S/C22H29NO/c1-18-8-7-11-20(16-18)23-14-12-22(19-9-5-4-6-10-19)13-15-24-21(2,3)17-22/h4-11,16,23H,12-15,17H2,1-3H3 | KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su... |
J Med Chem 54: 5031-47 (2011)
Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348049
(CHEMBL1800496)Show SMILES COc1c(F)cc(NCCC2(CCOC(C)(C)C2)c2ccccc2)cc1F Show InChI InChI=1S/C22H27F2NO2/c1-21(2)15-22(10-12-27-21,16-7-5-4-6-8-16)9-11-25-17-13-18(23)20(26-3)19(24)14-17/h4-8,13-14,25H,9-12,15H2,1-3H3 | KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su... |
J Med Chem 54: 5031-47 (2011)
Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348052
(CHEMBL1800499)Show InChI InChI=1S/C21H25ClFNO/c1-20(2)15-21(11-13-25-20,16-6-4-3-5-7-16)10-12-24-19-14-17(22)8-9-18(19)23/h3-9,14,24H,10-13,15H2,1-2H3 | KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su... |
J Med Chem 54: 5031-47 (2011)
Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348024
(CHEMBL1800421)Show InChI InChI=1S/C23H31NO/c1-4-19-9-8-12-21(17-19)24-15-13-23(20-10-6-5-7-11-20)14-16-25-22(2,3)18-23/h5-12,17,24H,4,13-16,18H2,1-3H3 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su... |
J Med Chem 54: 5031-47 (2011)
Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49 |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50130549
(CHEMBL3632711)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(N)=O)c1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H28N4O8S2/c1-39-19-7-11-21(12-8-19)41(35,36)31(17-27(29)33)25-15-16-26(24-6-4-3-5-23(24)25)32(18-28(30)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H2,29,33)(H2,30,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Binding affinity to the Keap1 (321 to 609 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by surface plasmon resonance assa... |
Eur J Med Chem 103: 252-68 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.049
BindingDB Entry DOI: 10.7270/Q25B04BR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348043
(CHEMBL1800490)Show InChI InChI=1S/C22H28ClNO/c1-17-9-10-19(15-20(17)23)24-13-11-22(18-7-5-4-6-8-18)12-14-25-21(2,3)16-22/h4-10,15,24H,11-14,16H2,1-3H3 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su... |
J Med Chem 54: 5031-47 (2011)
Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348045
(CHEMBL1800492)Show InChI InChI=1S/C21H26FNO/c1-20(2)16-21(12-14-24-20,17-7-4-3-5-8-17)11-13-23-19-10-6-9-18(22)15-19/h3-10,15,23H,11-14,16H2,1-2H3 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su... |
J Med Chem 54: 5031-47 (2011)
Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49 |
More data for this
Ligand-Target Pair | |
Protein-S-isoprenylcysteine O-methyltransferase
(Homo sapiens (Human)) | BDBM50348023
(CHEMBL1800420)Show InChI InChI=1S/C23H31NO/c1-18-14-19(2)16-21(15-18)24-12-10-23(20-8-6-5-7-9-20)11-13-25-22(3,4)17-23/h5-9,14-16,24H,10-13,17H2,1-4H3 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Myrexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor su... |
J Med Chem 54: 5031-47 (2011)
Article DOI: 10.1021/jm200249a
BindingDB Entry DOI: 10.7270/Q2XW4K49 |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50537622
(CHEMBL4634168)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(F)F)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C27H25F2N3O8S2/c1-39-18-7-11-20(12-8-18)41(35,36)31(16-25(28)29)24-15-30-27(23-6-4-3-5-22(23)24)32(17-26(33)34)42(37,38)21-13-9-19(40-2)10-14-21/h3-15,25H,16-17H2,1-2H3,(H,33,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells |
J Med Chem 63: 6547-6560 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01074
BindingDB Entry DOI: 10.7270/Q2QV3QDZ |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM561983
(BDBM50369389 | US11396496, Compound A1)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Inhibition of Keap1 Kelch domain (unknown origin) /Nrf2 (unknown origin) interaction using fluorescein-labeled 9-mer peptide containing NRF2 Neh2 dom... |
J Med Chem 61: 8029-8047 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01133
BindingDB Entry DOI: 10.7270/Q2G163CR |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM561983
(BDBM50369389 | US11396496, Compound A1)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23J3H63 |
More data for this
Ligand-Target Pair | |
Kelch-like ECH-associated protein 1
(Homo sapiens (Human)) | BDBM50519234
(CHEMBL4440989)Show SMILES CCCCC1CCCN1C(=O)[C@@H]1CCC[C@@H](C1)c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1 |r| Show InChI InChI=1S/C28H37N3O3/c1-2-3-10-23-12-6-15-30(23)27(32)22-9-4-7-20(16-22)21-8-5-11-24(17-21)31-26(19-13-14-19)25(18-29-31)28(33)34/h5,8,11,17-20,22-23H,2-4,6-7,9-10,12-16H2,1H3,(H,33,34)/t20-,22+,23?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Inhibition of FITC-9mer Nrf2 peptide binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) b... |
ACS Med Chem Lett 11: 521-527 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00631
BindingDB Entry DOI: 10.7270/Q2Q243SW |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM50130549
(CHEMBL3632711)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(N)=O)c1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H28N4O8S2/c1-39-19-7-11-21(12-8-19)41(35,36)31(17-27(29)33)25-15-16-26(24-6-4-3-5-23(24)25)32(18-28(30)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H2,29,33)(H2,30,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Inhibition of Keap1 Kelch domain (unknown origin) /Nrf2 (unknown origin) interaction using fluorescein-labeled 9-mer peptide containing NRF2 Neh2 dom... |
J Med Chem 61: 8029-8047 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01133
BindingDB Entry DOI: 10.7270/Q2G163CR |
More data for this
Ligand-Target Pair | |
Nuclear factor erythroid 2-related factor 2
(Homo sapiens (Human)) | BDBM561983
(BDBM50369389 | US11396496, Compound A1)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4... |
J Med Chem 63: 6547-6560 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01074
BindingDB Entry DOI: 10.7270/Q2QV3QDZ |
More data for this
Ligand-Target Pair | |
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