Found 1925 hits with Last Name = 'bai' and Initial = 'c' 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
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid 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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| 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 | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50001765
(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6| Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank PC cid PC sid UniChem
Patents
Similars
| DrugBank PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Mol Pharmacol 49: 253-9 (1996)
BindingDB Entry DOI: 10.7270/Q2639N8C |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50017309
(7-Chloro-3-(5-isopropyl-[1,2,4]oxadiazol-3-yl)-5-m...)Show SMILES CC(C)c1nc(no1)-c1ncn-2c1CN(C)C(=O)c1c(Cl)cccc-21 Show InChI InChI=1S/C17H16ClN5O2/c1-9(2)16-20-15(21-25-16)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Mol Pharmacol 49: 253-9 (1996)
BindingDB Entry DOI: 10.7270/Q2639N8C |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391916
(CHEMBL2147556)Show SMILES C[C@]12Cc3cnn(c3C=C1CC[C@@]2(O)CCc1ccccc1C(=O)NCC=C)-c1ccc(F)cc1 |r,c:9| Show InChI InChI=1S/C29H30FN3O2/c1-3-16-31-27(34)25-7-5-4-6-20(25)12-14-29(35)15-13-22-17-26-21(18-28(22,29)2)19-32-33(26)24-10-8-23(30)9-11-24/h3-11,17,19,35H,1,12-16,18H2,2H3,(H,31,34)/t28-,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054 BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391923
(CHEMBL2147566)Show SMILES CC(C)(CO)NC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1 |r,t:21| Show InChI InChI=1S/C30H34FN3O3/c1-28(2,19-35)33-27(36)25-7-5-4-6-20(25)12-14-30(37)15-13-22-16-26-21(17-29(22,30)3)18-32-34(26)24-10-8-23(31)9-11-24/h4-11,16,18,35,37H,12-15,17,19H2,1-3H3,(H,33,36)/t29-,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054 BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50243981
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Mol Pharmacol 49: 253-9 (1996)
BindingDB Entry DOI: 10.7270/Q2639N8C |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391920
(CHEMBL2147562)Show SMILES C[C@]12Cc3cnn(c3C=C1CC[C@@]2(O)CCc1ccccc1C(N)=O)-c1ccc(F)cc1 |r,c:9| Show InChI InChI=1S/C26H26FN3O2/c1-25-15-18-16-29-30(21-8-6-20(27)7-9-21)23(18)14-19(25)11-13-26(25,32)12-10-17-4-2-3-5-22(17)24(28)31/h2-9,14,16,32H,10-13,15H2,1H3,(H2,28,31)/t25-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054 BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391913
(CHEMBL2147553)Show SMILES CNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1 |r,t:17| Show InChI InChI=1S/C27H28FN3O2/c1-26-16-19-17-30-31(22-9-7-21(28)8-10-22)24(19)15-20(26)12-14-27(26,33)13-11-18-5-3-4-6-23(18)25(32)29-2/h3-10,15,17,33H,11-14,16H2,1-2H3,(H,29,32)/t26-,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054 BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391917
(CHEMBL2147557)Show SMILES CCCNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1 |r,t:19| Show InChI InChI=1S/C29H32FN3O2/c1-3-16-31-27(34)25-7-5-4-6-20(25)12-14-29(35)15-13-22-17-26-21(18-28(22,29)2)19-32-33(26)24-10-8-23(30)9-11-24/h4-11,17,19,35H,3,12-16,18H2,1-2H3,(H,31,34)/t28-,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054 BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391919
(CHEMBL2147561)Show SMILES CCNC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1 |r,t:18| Show InChI InChI=1S/C28H30FN3O2/c1-3-30-26(33)24-7-5-4-6-19(24)12-14-28(34)15-13-21-16-25-20(17-27(21,28)2)18-31-32(25)23-10-8-22(29)9-11-23/h4-11,16,18,34H,3,12-15,17H2,1-2H3,(H,30,33)/t27-,28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054 BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
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
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| 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
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar 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 | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM26267
(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Mol Pharmacol 49: 253-9 (1996)
BindingDB Entry DOI: 10.7270/Q2639N8C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| 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 | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391925
(CHEMBL2147569)Show SMILES C[C@]12Cc3cnn(c3C=C1CC[C@@]2(O)CCc1ccc(F)cc1C(N)=O)-c1ccc(F)cc1 |r,c:9| Show InChI InChI=1S/C26H25F2N3O2/c1-25-14-17-15-30-31(21-6-4-19(27)5-7-21)23(17)12-18(25)9-11-26(25,33)10-8-16-2-3-20(28)13-22(16)24(29)32/h2-7,12-13,15,33H,8-11,14H2,1H3,(H2,29,32)/t25-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054 BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
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
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| 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 | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391924
(CHEMBL2147567)Show SMILES C[C@]12Cc3cnn(c3C=C1CC[C@@]2(O)CCc1cccc(F)c1C(=O)NC1(CO)CC1)-c1ccc(F)cc1 |r,c:9| Show InChI InChI=1S/C30H31F2N3O3/c1-28-16-20-17-33-35(23-7-5-22(31)6-8-23)25(20)15-21(28)10-12-30(28,38)11-9-19-3-2-4-24(32)26(19)27(37)34-29(18-36)13-14-29/h2-8,15,17,36,38H,9-14,16,18H2,1H3,(H,34,37)/t28-,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054 BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
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
antibodypedia GoogleScholar AffyNet
| 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 | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391918
(CHEMBL2147558)Show SMILES CC(C)NC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1 |r,t:19| Show InChI InChI=1S/C29H32FN3O2/c1-19(2)32-27(34)25-7-5-4-6-20(25)12-14-29(35)15-13-22-16-26-21(17-28(22,29)3)18-31-33(26)24-10-8-23(30)9-11-24/h4-11,16,18-19,35H,12-15,17H2,1-3H3,(H,32,34)/t28-,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054 BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this Ligand-Target Pair | |
Free fatty acid receptor 1
(Homo sapiens (Human)) | BDBM50200369
(CHEMBL3915620)Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1 |r,c:26| Show InChI InChI=1S/C33H33NO3/c1-2-5-29(22-32(35)36)27-12-14-30(15-13-27)37-24-26-10-8-25(9-11-26)23-34-20-18-33(19-21-34)17-16-28-6-3-4-7-31(28)33/h3-4,6-17,29H,18-24H2,1H3,(H,35,36)/t29-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou... |
J Med Chem 61: 934-945 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01411 BindingDB Entry DOI: 10.7270/Q2CZ39K5 |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM25878
(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9| Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid UniChem
Patents
Similars
| PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Mol Pharmacol 49: 253-9 (1996)
BindingDB Entry DOI: 10.7270/Q2639N8C |
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
antibodypedia GoogleScholar 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 GoogleScholar 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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| 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 | |
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
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| 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) |
Free fatty acid receptor 1
(Homo sapiens (Human)) | BDBM50247164
(CHEMBL4101901)Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(s2)N2CCC3(CCc4ccccc34)CC2)cc1 |r| Show InChI InChI=1S/C30H31NO3S/c1-2-5-24(20-29(32)33)22-8-10-25(11-9-22)34-21-26-12-13-28(35-26)31-18-16-30(17-19-31)15-14-23-6-3-4-7-27(23)30/h3-4,6-13,24H,14-21H2,1H3,(H,32,33)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou... |
J Med Chem 61: 934-945 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01411 BindingDB Entry DOI: 10.7270/Q2CZ39K5 |
More data for this Ligand-Target Pair | |
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
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 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
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 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 | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391922
(CHEMBL2147564)Show SMILES CC(C)(C)NC(=O)c1ccccc1CC[C@]1(O)CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1 |r,t:20| Show InChI InChI=1S/C30H34FN3O2/c1-28(2,3)33-27(35)25-8-6-5-7-20(25)13-15-30(36)16-14-22-17-26-21(18-29(22,30)4)19-32-34(26)24-11-9-23(31)10-12-24/h5-12,17,19,36H,13-16,18H2,1-4H3,(H,33,35)/t29-,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054 BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
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
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 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 | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM81951
(CAS_104999 | DMCM | NSC_104999)Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 11.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Mol Pharmacol 49: 253-9 (1996)
BindingDB Entry DOI: 10.7270/Q2639N8C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-6
(Homo sapiens (Human)) | BDBM50017320
(8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...)Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PubMed
| 12.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Mol Pharmacol 49: 253-9 (1996)
BindingDB Entry DOI: 10.7270/Q2639N8C |
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
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article 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)) | 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
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 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)) | 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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 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 | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50391914
(CHEMBL2147554)Show SMILES CNC(=O)c1cccc(CC[C@]2(O)CCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)c1 |r,t:15| Show InChI InChI=1S/C27H28FN3O2/c1-26-16-20-17-30-31(23-8-6-22(28)7-9-23)24(20)15-21(26)11-13-27(26,33)12-10-18-4-3-5-19(14-18)25(32)29-2/h3-9,14-15,17,33H,10-13,16H2,1-2H3,(H,29,32)/t26-,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells |
Bioorg Med Chem 19: 7374-86 (2011)
Article DOI: 10.1016/j.bmc.2011.10.054 BindingDB Entry DOI: 10.7270/Q2XS5WH9 |
More data for this Ligand-Target Pair | |
Free fatty acid receptor 1
(Homo sapiens (Human)) | BDBM50204020
(CHEMBL3927519)Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2c(C)cccc2C)cc1 |r| Show InChI InChI=1S/C27H25N3O3/c1-4-6-22(15-25(31)32)21-10-12-23(13-11-21)33-17-20-9-14-24-28-27(29-30(24)16-20)26-18(2)7-5-8-19(26)3/h5,7-14,16,22H,15,17H2,1-3H3,(H,31,32)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou... |
J Med Chem 61: 934-945 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01411 BindingDB Entry DOI: 10.7270/Q2CZ39K5 |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50000766
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB PubMed
| 16.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Mol Pharmacol 49: 253-9 (1996)
BindingDB Entry DOI: 10.7270/Q2639N8C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aminopeptidase N
(Homo sapiens (Human)) | BDBM50435737
(PROBESTIN)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C26H38N4O6/c1-16(2)14-19(28-23(32)22(31)18(27)15-17-8-4-3-5-9-17)24(33)29-12-6-10-20(29)25(34)30-13-7-11-21(30)26(35)36/h3-5,8-9,16,18-22,31H,6-7,10-15,27H2,1-2H3,(H,28,32)(H,35,36)/t18-,19+,20+,21+,22+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Oklahoma Health Sciences Center
Curated by ChEMBL
| Assay Description Inhibition of aminopeptidase N (unknown origin) using L-leucine-beta-naphthylamide as substrate after 15 mins |
Bioorg Med Chem Lett 23: 3561-4 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.031 BindingDB Entry DOI: 10.7270/Q2P270JB |
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
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 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 | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM26266
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB PubMed
| 20.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Mol Pharmacol 49: 253-9 (1996)
BindingDB Entry DOI: 10.7270/Q2639N8C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 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
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 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 | |
Free fatty acid receptor 1
(Homo sapiens (Human)) | BDBM50204012
(CHEMBL3955132)Show SMILES COc1cccc2CCCN(Cc3ccc(COc4ccc(cc4)[C@H](CC(O)=O)C#CC)s3)c12 |r| Show InChI InChI=1S/C28H29NO4S/c1-3-6-22(17-27(30)31)20-10-12-23(13-11-20)33-19-25-15-14-24(34-25)18-29-16-5-8-21-7-4-9-26(32-2)28(21)29/h4,7,9-15,22H,5,8,16-19H2,1-2H3,(H,30,31)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou... |
J Med Chem 61: 934-945 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01411 BindingDB Entry DOI: 10.7270/Q2CZ39K5 |
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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50296936
(16-[(3-Fluorophenyl)methylidene]-17beta-hydroxy-4-...)Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cccc(F)c5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:30| Show InChI InChI=1S/C26H32FNO2/c1-25-12-10-23(29)28(3)22(25)8-7-19-20(25)9-11-26(2)21(19)15-17(24(26)30)13-16-5-4-6-18(27)14-16/h4-6,10,12-14,19-22,24,30H,7-9,11,15H2,1-3H3/b17-13+/t19-,20+,21+,22-,24+,25-,26+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERG potassium channel |
J Med Chem 52: 4578-81 (2009)
Article DOI: 10.1021/jm900880r BindingDB Entry DOI: 10.7270/Q2K35TPQ |
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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 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 | |