Found 331 hits with Last Name = 'savage' and Initial = 'm' 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 |
|---|
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513934
(CHEMBL4443587)Show SMILES [H][C@]12O[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NC)S2 |r,t:14| Show InChI InChI=1S/C8H12F2N2O3S/c1-11-8-12-2-3(13)4(14)5(6(9)10)15-7(2)16-8/h2-7,13-14H,1H3,(H,11,12)/t2-,3-,4+,5+,7-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50323697
((3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL...)Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:3| Show InChI InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1 | PDB
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CHEMBL
MCE
MMDB
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PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513931
(CHEMBL4444446)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@@H](F)[C@@]1([H])N=C(NC)S2 |r,t:13| Show InChI InChI=1S/C8H13FN2O3S/c1-10-8-11-5-4(9)6(13)3(2-12)14-7(5)15-8/h3-7,12-13H,2H2,1H3,(H,10,11)/t3-,4+,5-,6-,7-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM205423
(US9243020, 17 | US9815861, Example 17)Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CF)[C@@H](O)[C@@H]2O)S1 |r,t:2| Show InChI InChI=1S/C8H13FN2O3S/c1-10-8-11-4-6(13)5(12)3(2-9)14-7(4)15-8/h3-7,12-13H,2H2,1H3,(H,10,11)/t3-,4-,5-,6-,7-/m1/s1 | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001092
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C Show InChI InChI=1S/C33H45N5O7S2/c1-18-13-21(39)14-19(2)22(18)16-23(34)28(41)37-26-30(43)35-17-25(40)36-24(15-20-11-9-8-10-12-20)29(42)38-27(31(44)45-7)33(5,6)47-46-32(26,3)4/h8-14,23-24,26-27,39H,15-17,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,41)(H,38,42)/t23-,24+,26+,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001092
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C Show InChI InChI=1S/C33H45N5O7S2/c1-18-13-21(39)14-19(2)22(18)16-23(34)28(41)37-26-30(43)35-17-25(40)36-24(15-20-11-9-8-10-12-20)29(42)38-27(31(44)45-7)33(5,6)47-46-32(26,3)4/h8-14,23-24,26-27,39H,15-17,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,41)(H,38,42)/t23-,24+,26+,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000335
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(O)=O)C(C)(C)SSC1(C)C Show InChI InChI=1S/C32H43N5O7S2/c1-17-12-20(38)13-18(2)21(17)15-22(33)27(40)36-25-29(42)34-16-24(39)35-23(14-19-10-8-7-9-11-19)28(41)37-26(30(43)44)32(5,6)46-45-31(25,3)4/h7-13,22-23,25-26,38H,14-16,33H2,1-6H3,(H,34,42)(H,35,39)(H,36,40)(H,37,41)(H,43,44)/t22-,23+,25+,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Research and Development
Curated by ChEMBL
| Assay Description
In Vitro evaluation for the binding affinity in homogenates of rat brain at Opioid receptor delta 1 by displacing [3H]- DSLET |
J Med Chem 35: 684-7 (1992)
BindingDB Entry DOI: 10.7270/Q2FB53JD |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50323697
((3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL...)Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:3| Show InChI InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1 | PDB
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| PDB
Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA expressed in Escherichia coli assessed as inhibitory constant using 4-MUGlcNAc as substrate incubated for 20 mins... |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM205425
(US9243020, 20 | US9815861, Example 20)Show SMILES CN(C)C1=N[C@H]2[C@H](O[C@H](C(F)F)[C@@H](O)[C@@H]2O)S1 |r,t:3| Show InChI InChI=1S/C9H14F2N2O3S/c1-13(2)9-12-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,1-2H3/t3-,4-,5+,6+,8-/m1/s1 | PDB
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UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001090
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES COC(=O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C Show InChI InChI=1S/C31H41N5O7S2/c1-30(2)24(35-26(39)21(32)15-19-11-13-20(37)14-12-19)28(41)33-17-23(38)34-22(16-18-9-7-6-8-10-18)27(40)36-25(29(42)43-5)31(3,4)45-44-30/h6-14,21-22,24-25,37H,15-17,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)/t21-,22+,24+,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM141965
(US8927507, 16)Show SMILES CN(CC=C)C1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:5| Show InChI InChI=1S/C11H18N2O4S/c1-3-4-13(2)11-12-7-9(16)8(15)6(5-14)17-10(7)18-11/h3,6-10,14-16H,1,4-5H2,2H3/t6-,7-,8-,9-,10-/m1/s1 | PDB
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| PC cid
PC sid
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| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM205422
(US9243020, 9 | US9815861, Example 9)Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2F)S1 |r,t:2| Show InChI InChI=1S/C8H13FN2O3S/c1-10-8-11-5-4(9)6(13)3(2-12)14-7(5)15-8/h3-7,12-13H,2H2,1H3,(H,10,11)/t3-,4-,5-,6-,7-/m1/s1 | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513947
(CHEMBL4545886)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CCC1 |r,c:13| Show InChI InChI=1S/C10H16N2O4S/c13-4-5-7(14)8(15)6-9(16-5)17-10(11-6)12-2-1-3-12/h5-9,13-15H,1-4H2/t5-,6-,7-,8-,9-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513960
(CHEMBL4561925)Show SMILES [H][C@]12O[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCCC)S2 |r,t:14| Show InChI InChI=1S/C10H16F2N2O3S/c1-2-3-13-10-14-4-5(15)6(16)7(8(11)12)17-9(4)18-10/h4-9,15-16H,2-3H2,1H3,(H,13,14)/t4-,5-,6+,7+,9-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513955
(CHEMBL4483089)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N(C)CC |r,c:13| Show InChI InChI=1S/C10H18N2O4S/c1-3-12(2)10-11-6-8(15)7(14)5(4-13)16-9(6)17-10/h5-9,13-15H,3-4H2,1-2H3/t5-,6-,7-,8-,9-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513957
(CHEMBL4456515)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCCF)S2 |r,t:13| Show InChI InChI=1S/C9H15FN2O4S/c10-1-2-11-9-12-5-7(15)6(14)4(3-13)16-8(5)17-9/h4-8,13-15H,1-3H2,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1 | PDB
KEGG
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| PC cid
PC sid
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| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001088
((DPDPE)13-[2-Amino-3-(4-hydroxy-phenyl)-propionyla...)Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23+,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM205424
(US9243020, 19 | US9815861, Example 19)Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](C(F)F)[C@@H](O)[C@@H]2O)S1 |r,t:3| Show InChI InChI=1S/C9H14F2N2O3S/c1-2-12-9-13-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5+,6+,8-/m1/s1 | PDB
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| PDB
Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513958
(CHEMBL4473252)Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N(C)C |r,c:13| Show InChI InChI=1S/C9H15FN2O3S/c1-12(2)9-11-5-7(14)6(13)4(3-10)15-8(5)16-9/h4-8,13-14H,3H2,1-2H3/t4-,5-,6-,7-,8-/m1/s1 | PDB
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| Article
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513939
(CHEMBL4516713)Show SMILES [H][C@@]12C[C@H](O)[C@@H](CO)O[C@]1([H])SC(NC)=N2 |r,c:15| Show InChI InChI=1S/C8H14N2O3S/c1-9-8-10-4-2-5(12)6(3-11)13-7(4)14-8/h4-7,11-12H,2-3H2,1H3,(H,9,10)/t4-,5+,6-,7-/m1/s1 | PDB
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| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001090
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES COC(=O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C Show InChI InChI=1S/C31H41N5O7S2/c1-30(2)24(35-26(39)21(32)15-19-11-13-20(37)14-12-19)28(41)33-17-23(38)34-22(16-18-9-7-6-8-10-18)27(40)36-25(29(42)43-5)31(3,4)45-44-30/h6-14,21-22,24-25,37H,15-17,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)/t21-,22+,24+,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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UniChem
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| PubMed
| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM205421
(US9243020, 4 | US9815861, Example 4)Show SMILES CN(C)C1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1 |r,t:3| Show InChI InChI=1S/C9H16N2O3S/c1-11(2)9-10-5-3-6(13)7(4-12)14-8(5)15-9/h5-8,12-13H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001093
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)CCCNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C Show InChI InChI=1S/C34H48N4O6S2/c1-20-16-24(39)17-21(2)25(20)19-26(35)30(41)37-27-31(42)36-15-11-14-23(18-22-12-9-8-10-13-22)29(40)38-28(32(43)44-7)34(5,6)46-45-33(27,3)4/h8-10,12-13,16-17,23,26-28,39H,11,14-15,18-19,35H2,1-7H3,(H,36,42)(H,37,41)(H,38,40)/t23?,26-,27+,28+/m0/s1 | PDB
Reactome pathway
KEGG
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UniChem
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001093
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)CCCNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C Show InChI InChI=1S/C34H48N4O6S2/c1-20-16-24(39)17-21(2)25(20)19-26(35)30(41)37-27-31(42)36-15-11-14-23(18-22-12-9-8-10-13-22)29(40)38-28(32(43)44-7)34(5,6)46-45-33(27,3)4/h8-10,12-13,16-17,23,26-28,39H,11,14-15,18-19,35H2,1-7H3,(H,36,42)(H,37,41)(H,38,40)/t23?,26-,27+,28+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM142083
(US8933040, 7)Show SMILES OC[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N1CCCC1 |r,c:6| Show InChI InChI=1S/C11H18N2O4S/c14-5-6-8(15)9(16)7-10(17-6)18-11(12-7)13-3-1-2-4-13/h6-10,14-16H,1-5H2/t6-,7-,8-,9-,10-/m1/s1 | PDB
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PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513951
(CHEMBL4583010)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](F)[C@@]1([H])N=C(NCCC)S2 |r,t:13| Show InChI InChI=1S/C10H17FN2O3S/c1-2-3-12-10-13-7-6(11)8(15)5(4-14)16-9(7)17-10/h5-9,14-15H,2-4H2,1H3,(H,12,13)/t5-,6-,7-,8-,9-/m1/s1 | PDB
KEGG
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| Article
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513940
(CHEMBL4586062)Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCCC)S2 |r,t:13| Show InChI InChI=1S/C10H17FN2O3S/c1-2-3-12-10-13-6-8(15)7(14)5(4-11)16-9(6)17-10/h5-9,14-15H,2-4H2,1H3,(H,12,13)/t5-,6-,7-,8-,9-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| PC cid
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| Article
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001683
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1 | PDB
Reactome pathway
KEGG
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Research and Development
Curated by ChEMBL
| Assay Description
In Vitro evaluation for the binding affinity in homogenates of rat brain at Opioid receptor delta 1 by displacing [3H]- DSLET |
J Med Chem 35: 684-7 (1992)
BindingDB Entry DOI: 10.7270/Q2FB53JD |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513930
(CHEMBL4543991)Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:13| Show InChI InChI=1S/C9H15FN2O3S/c1-2-11-9-12-5-7(14)6(13)4(3-10)15-8(5)16-9/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001093
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)CCCNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C Show InChI InChI=1S/C34H48N4O6S2/c1-20-16-24(39)17-21(2)25(20)19-26(35)30(41)37-27-31(42)36-15-11-14-23(18-22-12-9-8-10-13-22)29(40)38-28(32(43)44-7)34(5,6)46-45-33(27,3)4/h8-10,12-13,16-17,23,26-28,39H,11,14-15,18-19,35H2,1-7H3,(H,36,42)(H,37,41)(H,38,40)/t23?,26-,27+,28+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001093
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)CCCNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C Show InChI InChI=1S/C34H48N4O6S2/c1-20-16-24(39)17-21(2)25(20)19-26(35)30(41)37-27-31(42)36-15-11-14-23(18-22-12-9-8-10-13-22)29(40)38-28(32(43)44-7)34(5,6)46-45-33(27,3)4/h8-10,12-13,16-17,23,26-28,39H,11,14-15,18-19,35H2,1-7H3,(H,36,42)(H,37,41)(H,38,40)/t23?,26-,27+,28+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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UniChem
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM205428
(US9243020, 33 | US9815861, Example 33)Show SMILES CNC1=N[C@H]2[C@H](O[C@H](C(F)F)[C@@H](O)[C@H]2F)S1 |r,t:2| Show InChI InChI=1S/C8H11F3N2O2S/c1-12-8-13-3-2(9)4(14)5(6(10)11)15-7(3)16-8/h2-7,14H,1H3,(H,12,13)/t2-,3+,4-,5-,7+/m0/s1 | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513944
(CHEMBL4453820)Show SMILES [H][C@]12O[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CCC1 |r,c:14| Show InChI InChI=1S/C10H14F2N2O3S/c11-8(12)7-6(16)5(15)4-9(17-7)18-10(13-4)14-2-1-3-14/h4-9,15-16H,1-3H2/t4-,5-,6+,7+,9-/m1/s1 | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM205426
(US9243020, 27 | US9815861, Example 27)Show SMILES CNC1=N[C@@H]2C[C@H](O)[C@H](O[C@@H]2S1)C(F)F |r,t:2| Show InChI InChI=1S/C8H12F2N2O2S/c1-11-8-12-3-2-4(13)5(6(9)10)14-7(3)15-8/h3-7,13H,2H2,1H3,(H,11,12)/t3-,4+,5+,7-/m1/s1 | PDB
KEGG
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513956
(CHEMBL4448352)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](F)[C@@]1([H])N=C(NCC)S2 |r,t:13| Show InChI InChI=1S/C9H15FN2O3S/c1-2-11-9-12-6-5(10)7(14)4(3-13)15-8(6)16-9/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1 | PDB
KEGG
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001089
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)\C=C/CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C |c:17| Show InChI InChI=1S/C34H46N4O6S2/c1-20-16-24(39)17-21(2)25(20)19-26(35)30(41)37-27-31(42)36-15-11-14-23(18-22-12-9-8-10-13-22)29(40)38-28(32(43)44-7)34(5,6)46-45-33(27,3)4/h8-14,16-17,23,26-28,39H,15,18-19,35H2,1-7H3,(H,36,42)(H,37,41)(H,38,40)/b14-11-/t23?,26-,27+,28+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description
Dissociation rate constant of compound for mutant T46S Escherichia coli dihydrofolate reductase |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001089
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)\C=C/CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C |c:17| Show InChI InChI=1S/C34H46N4O6S2/c1-20-16-24(39)17-21(2)25(20)19-26(35)30(41)37-27-31(42)36-15-11-14-23(18-22-12-9-8-10-13-22)29(40)38-28(32(43)44-7)34(5,6)46-45-33(27,3)4/h8-14,16-17,23,26-28,39H,15,18-19,35H2,1-7H3,(H,36,42)(H,37,41)(H,38,40)/b14-11-/t23?,26-,27+,28+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513949
(CHEMBL4476839)Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@@H](F)[C@@]1([H])N=C(NC)S2 |r,t:13| Show InChI InChI=1S/C8H12F2N2O2S/c1-11-8-12-5-4(10)6(13)3(2-9)14-7(5)15-8/h3-7,13H,2H2,1H3,(H,11,12)/t3-,4+,5-,6-,7-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513952
(CHEMBL4576476)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](F)[C@@]1([H])N=C(S2)N(C)C |r,c:13| Show InChI InChI=1S/C9H15FN2O3S/c1-12(2)9-11-6-5(10)7(14)4(3-13)15-8(6)16-9/h4-8,13-14H,3H2,1-2H3/t4-,5-,6-,7-,8-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM205420
(US9243020, 2 | US9815861, Example 2)Show SMILES CCNC1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1 |r,t:3| Show InChI InChI=1S/C9H16N2O3S/c1-2-10-9-11-5-3-6(13)7(4-12)14-8(5)15-9/h5-8,12-13H,2-4H2,1H3,(H,10,11)/t5-,6+,7-,8-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001089
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)\C=C/CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C |c:17| Show InChI InChI=1S/C34H46N4O6S2/c1-20-16-24(39)17-21(2)25(20)19-26(35)30(41)37-27-31(42)36-15-11-14-23(18-22-12-9-8-10-13-22)29(40)38-28(32(43)44-7)34(5,6)46-45-33(27,3)4/h8-14,16-17,23,26-28,39H,15,18-19,35H2,1-7H3,(H,36,42)(H,37,41)(H,38,40)/b14-11-/t23?,26-,27+,28+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001089
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)\C=C/CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C |c:17| Show InChI InChI=1S/C34H46N4O6S2/c1-20-16-24(39)17-21(2)25(20)19-26(35)30(41)37-27-31(42)36-15-11-14-23(18-22-12-9-8-10-13-22)29(40)38-28(32(43)44-7)34(5,6)46-45-33(27,3)4/h8-14,16-17,23,26-28,39H,15,18-19,35H2,1-7H3,(H,36,42)(H,37,41)(H,38,40)/b14-11-/t23?,26-,27+,28+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513959
(CHEMBL4465511)Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](F)[C@@]1([H])N=C(NC)S2 |r,t:13| Show InChI InChI=1S/C8H12F2N2O2S/c1-11-8-12-5-4(10)6(13)3(2-9)14-7(5)15-8/h3-7,13H,2H2,1H3,(H,11,12)/t3-,4-,5-,6-,7-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513950
(CHEMBL4454814)Show SMILES [H][C@@]12C[C@H](O)[C@@H](CO)O[C@]1([H])SC(NCCC)=N2 |r,c:17| Show InChI InChI=1S/C10H18N2O3S/c1-2-3-11-10-12-6-4-7(14)8(5-13)15-9(6)16-10/h6-9,13-14H,2-5H2,1H3,(H,11,12)/t6-,7+,8-,9-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513942
(CHEMBL4436228)Show SMILES [H][C@]12O[C@H](C(F)F)[C@@H](O)[C@H](F)[C@@]1([H])N=C(NC)S2 |r,t:14| Show InChI InChI=1S/C8H11F3N2O2S/c1-12-8-13-3-2(9)4(14)5(6(10)11)15-7(3)16-8/h2-7,14H,1H3,(H,12,13)/t2-,3-,4+,5+,7-/m1/s1 | PDB
KEGG
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| PC cid
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UniChem
| Article
PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000335
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(O)=O)C(C)(C)SSC1(C)C Show InChI InChI=1S/C32H43N5O7S2/c1-17-12-20(38)13-18(2)21(17)15-22(33)27(40)36-25-29(42)34-16-24(39)35-23(14-19-10-8-7-9-11-19)28(41)37-26(30(43)44)32(5,6)46-45-31(25,3)4/h7-13,22-23,25-26,38H,14-16,33H2,1-6H3,(H,34,42)(H,35,39)(H,36,40)(H,37,41)(H,43,44)/t22-,23+,25+,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Research and Development
Curated by ChEMBL
| Assay Description
In Vitro evaluation for the binding affinity in homogenates of rat brain at opioid receptor mu by displacing [3H]- DAMGO |
J Med Chem 35: 684-7 (1992)
BindingDB Entry DOI: 10.7270/Q2FB53JD |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM205419
(US9243020, 1 | US9815861, Example 1)Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](C)[C@@H](O)[C@@H]2O)S1 |r,t:3| Show InChI InChI=1S/C9H16N2O3S/c1-3-10-9-11-5-7(13)6(12)4(2)14-8(5)15-9/h4-8,12-13H,3H2,1-2H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1 | PDB
KEGG
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| PC cid
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| Article
PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513954
(CHEMBL4527453)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NC)S2 |r,t:13| Show InChI InChI=1S/C8H14N2O4S/c1-9-8-10-4-6(13)5(12)3(2-11)14-7(4)15-8/h3-7,11-13H,2H2,1H3,(H,9,10)/t3-,4-,5-,6-,7-/m1/s1 | PDB
KEGG
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of human OGA assessed as inhibitory constant using 4-methylumbelliferyl 2-acetamido-2-deoxy-beta-D-glucopyranoside as substrate incubated ... |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Beta-hexosaminidase subunit beta
(Homo sapiens (Human)) | BDBM50513954
(CHEMBL4527453)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NC)S2 |r,t:13| Show InChI InChI=1S/C8H14N2O4S/c1-9-8-10-4-6(13)5(12)3(2-11)14-7(4)15-8/h3-7,11-13H,2H2,1H3,(H,9,10)/t3-,4-,5-,6-,7-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
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| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of human beta hexosaminidase assessed as inhibitory constant using 4-methylumbelliferyl 2-acetamido-2-deoxy-beta-D-glucopyranoside as subs... |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513932
(CHEMBL4541985)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CC(C)C1 |r,c:13| Show InChI InChI=1S/C11H18N2O4S/c1-5-2-13(3-5)11-12-7-9(16)8(15)6(4-14)17-10(7)18-11/h5-10,14-16H,2-4H2,1H3/t6-,7-,8-,9-,10-/m1/s1 | PDB
KEGG
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| PC cid
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| Article
PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090
BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this
Ligand-Target Pair | |
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