Found 578 hits with Last Name = 'brugel' and Initial = 'ta' 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 |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50130561
((R)-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dime...)Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C28H39N3O2/c1-19(2)26(30-27(33)25-14-21-8-5-6-9-22(21)16-29-25)18-31-13-12-28(4,20(3)17-31)23-10-7-11-24(32)15-23/h5-11,15,19-20,25-26,29,32H,12-14,16-18H2,1-4H3,(H,30,33)/t20-,25+,26+,28+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50327257
(3-(1-(cyclopropylmethyl)piperidin-4-yloxy)-N-(3-(3...)Show SMILES O=C(Nc1cccc(NC(=O)c2cccc(c2)N2CCOCC2)c1)c1cccc(OC2CCN(CC3CC3)CC2)c1 Show InChI InChI=1S/C33H38N4O4/c38-32(25-4-1-8-29(20-25)37-16-18-40-19-17-37)34-27-6-3-7-28(22-27)35-33(39)26-5-2-9-31(21-26)41-30-12-14-36(15-13-30)23-24-10-11-24/h1-9,20-22,24,30H,10-19,23H2,(H,34,38)(H,35,39) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM82551
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50325855
(CHEMBL1223951 | exo-3-((1R,3s,5S)-8-benzyl-8-azabi...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12| Show InChI InChI=1S/C21H24N2O2/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h1-8,11,17-18,20H,9-10,12-14H2,(H2,22,24)/t17-,18+,20- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50327259
(3-(1-benzylpiperidin-4-yloxy)benzamide | CHEMBL125...)Show InChI InChI=1S/C19H22N2O2/c20-19(22)16-7-4-8-18(13-16)23-17-9-11-21(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17H,9-12,14H2,(H2,20,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50327258
(3-(1-(cyclopropylmethyl)piperidin-4-yloxy)benzamid...)Show InChI InChI=1S/C16H22N2O2/c17-16(19)13-2-1-3-15(10-13)20-14-6-8-18(9-7-14)11-12-4-5-12/h1-3,10,12,14H,4-9,11H2,(H2,17,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 146 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50156071
(3-Cyano-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide...)Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEP from human mGluR5 |
Bioorg Med Chem Lett 20: 7381-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.036 BindingDB Entry DOI: 10.7270/Q27S7P13 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50331975
(1-(4-(2-chloro-4-fluorophenyl)piperazin-1-yl)-2-(p...)Show InChI InChI=1S/C18H19ClFN3O2/c19-16-11-15(20)1-2-17(16)22-7-9-23(10-8-22)18(24)13-25-12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEP from human mGluR5 |
Bioorg Med Chem Lett 20: 7381-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.036 BindingDB Entry DOI: 10.7270/Q27S7P13 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327248
(CHEMBL1257821 | endo-3-(8-(4-methylbenzyl)-8-azabi...)Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cc1 |r,TLB:5:6:12.11.13:9.8| Show InChI InChI=1S/C22H26N2O2/c1-15-5-7-16(8-6-15)14-24-18-9-10-19(24)13-21(12-18)26-20-4-2-3-17(11-20)22(23)25/h2-8,11,18-19,21H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,21- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327247
(CHEMBL1257820 | endo-3-(8-(3-phenylpropyl)-8-azabi...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C23H28N2O2/c24-23(26)18-9-4-10-21(14-18)27-22-15-19-11-12-20(16-22)25(19)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,14,19-20,22H,5,8,11-13,15-16H2,(H2,24,26)/t19-,20+,22- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327244
(3-Endo-(8-((5-methylthiophen-2-yl)methyl)-8-azabic...)Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)s1 |r,TLB:5:6:12.11.13:9.8| Show InChI InChI=1S/C20H24N2O2S/c1-13-5-8-19(25-13)12-22-15-6-7-16(22)11-18(10-15)24-17-4-2-3-14(9-17)20(21)23/h2-5,8-9,15-16,18H,6-7,10-12H2,1H3,(H2,21,23)/t15-,16+,18- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327246
(CHEMBL1257698 | endo-3-(8-phenethyl-8-azabicyclo[3...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C22H26N2O2/c23-22(25)17-7-4-8-20(13-17)26-21-14-18-9-10-19(15-21)24(18)12-11-16-5-2-1-3-6-16/h1-8,13,18-19,21H,9-12,14-15H2,(H2,23,25)/t18-,19+,21- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474810
(CHEMBL92082)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)c1ccccc1 Show InChI InChI=1S/C24H22FN5O/c1-16(17-6-3-2-4-7-17)27-24-26-13-12-20(28-24)22-21(18-8-10-19(25)11-9-18)23(31)30-15-5-14-29(22)30/h2-4,6-13,16H,5,14-15H2,1H3,(H,26,27,28)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of LPS-stimulated p38-related TNF-alpha production in human peripheral blood mononuclear cells (PBMC) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327243
(CHEMBL1257577 | endo-3-(8-(thiophen-2-ylmethyl)-8-...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccs2)c1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C19H22N2O2S/c20-19(22)13-3-1-4-16(9-13)23-17-10-14-6-7-15(11-17)21(14)12-18-5-2-8-24-18/h1-5,8-9,14-15,17H,6-7,10-12H2,(H2,20,22)/t14-,15+,17- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50130561
((R)-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dime...)Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C28H39N3O2/c1-19(2)26(30-27(33)25-14-21-8-5-6-9-22(21)16-29-25)18-31-13-12-28(4,20(3)17-31)23-10-7-11-24(32)15-23/h5-11,15,19-20,25-26,29,32H,12-14,16-18H2,1-4H3,(H,30,33)/t20-,25+,26+,28+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327249
(CHEMBL1257937 | endo-3-(8-(3-methylbenzyl)-8-azabi...)Show SMILES Cc1cccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)c1 |r,TLB:6:7:13.12.14:10.9| Show InChI InChI=1S/C22H26N2O2/c1-15-4-2-5-16(10-15)14-24-18-8-9-19(24)13-21(12-18)26-20-7-3-6-17(11-20)22(23)25/h2-7,10-11,18-19,21H,8-9,12-14H2,1H3,(H2,23,25)/t18-,19+,21- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50325855
(CHEMBL1223951 | exo-3-((1R,3s,5S)-8-benzyl-8-azabi...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12| Show InChI InChI=1S/C21H24N2O2/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h1-8,11,17-18,20H,9-10,12-14H2,(H2,22,24)/t17-,18+,20- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327250
(CHEMBL1257938 | endo-3-(8-(2-methylbenzyl)-8-azabi...)Show SMILES Cc1ccccc1CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O |r,TLB:7:8:14.13.15:11.10| Show InChI InChI=1S/C22H26N2O2/c1-15-5-2-3-6-17(15)14-24-18-9-10-19(24)13-21(12-18)26-20-8-4-7-16(11-20)22(23)25/h2-8,11,18-19,21H,9-10,12-14H2,1H3,(H2,23,25)/t18-,19+,21- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327256
(CHEMBL1258280 | endo-3-(8-(benzo[d][1,3]dioxol-5-y...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccc3OCOc3c2)c1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C22H24N2O4/c23-22(25)15-2-1-3-18(9-15)28-19-10-16-5-6-17(11-19)24(16)12-14-4-7-20-21(8-14)27-13-26-20/h1-4,7-9,16-17,19H,5-6,10-13H2,(H2,23,25)/t16-,17+,19- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327264
(CHEMBL1258503 | endo-3-(8-(2-oxo-2-(phenylamino)et...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)Nc2ccccc2)c1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C22H25N3O3/c23-22(27)15-5-4-8-19(11-15)28-20-12-17-9-10-18(13-20)25(17)14-21(26)24-16-6-2-1-3-7-16/h1-8,11,17-18,20H,9-10,12-14H2,(H2,23,27)(H,24,26)/t17-,18+,20- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474810
(CHEMBL92082)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)c1ccccc1 Show InChI InChI=1S/C24H22FN5O/c1-16(17-6-3-2-4-7-17)27-24-26-13-12-20(28-24)22-21(18-8-10-19(25)11-9-18)23(31)30-15-5-14-29(22)30/h2-4,6-13,16H,5,14-15H2,1H3,(H,26,27,28)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of LPS-stimulated p38-related IL1-beta production in human peripheral blood mononuclear cells (PBMC) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM158387
(US9029381, 29)Show InChI InChI=1S/C19H23N3O/c20-13-14-3-1-4-15(11-14)17-12-18(17)19(23)22-9-7-21(8-10-22)16-5-2-6-16/h1,3-4,11,16-18H,2,5-10,12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.834 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca AB
US Patent
| Assay Description The H3 binding assay was/can be used to evaluate the ability of at least one compound in accordance with formula I, Ia, Ib, and/or Ic to inhibit [3H]... |
US Patent US9029381 (2015)
BindingDB Entry DOI: 10.7270/Q2HX1BDG |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327268
(CHEMBL1258725 | endo-3-(8-(1,2,3,4-tetrahydronapht...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCc3ccccc23)c1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C24H28N2O2/c25-24(27)17-7-3-8-20(13-17)28-21-14-18-11-12-19(15-21)26(18)23-10-4-6-16-5-1-2-9-22(16)23/h1-3,5,7-9,13,18-19,21,23H,4,6,10-12,14-15H2,(H2,25,27)/t18-,19+,21-,23? | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50460357
(CHEMBL4226364)Show SMILES CN1CC2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccc(C)o1 |(24.77,-10.28,;24.77,-8.72,;23.42,-7.95,;23.42,-6.39,;24.77,-5.59,;26.13,-6.39,;26.13,-7.95,;25.51,-6.61,;24.41,-7.72,;27.48,-8.73,;27.47,-10.26,;28.8,-11.04,;30.13,-10.27,;28.8,-12.57,;27.47,-13.33,;26.12,-12.54,;27.47,-14.86,;28.8,-15.63,;30.13,-14.86,;30.12,-13.33,;31.47,-12.54,;28.8,-7.96,;28.95,-6.44,;30.45,-6.11,;31.22,-7.44,;32.77,-7.6,;30.2,-8.58,)| Show InChI InChI=1S/C23H30N2O2/c1-15-6-5-7-16(2)20(15)22(26)24-21(19-9-8-17(3)27-19)23-12-10-18(11-13-23)14-25(23)4/h5-9,18,21H,10-14H2,1-4H3,(H,24,26) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci... |
Bioorg Med Chem Lett 28: 1043-1049 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50460356
(CHEMBL4224734)Show SMILES CN1CC2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccncc1 |(37.75,-10.82,;37.75,-9.26,;36.4,-8.49,;36.4,-6.92,;37.75,-6.13,;39.1,-6.92,;39.1,-8.49,;38.49,-7.15,;37.39,-8.26,;40.45,-9.27,;40.45,-10.8,;41.78,-11.58,;43.11,-10.81,;41.78,-13.11,;40.45,-13.87,;39.1,-13.08,;40.44,-15.4,;41.78,-16.18,;43.11,-15.4,;43.1,-13.87,;44.45,-13.09,;41.78,-8.5,;41.78,-6.97,;43.1,-6.2,;44.44,-6.97,;44.44,-8.51,;43.11,-9.27,)| Show InChI InChI=1S/C23H29N3O/c1-16-5-4-6-17(2)20(16)22(27)25-21(19-9-13-24-14-10-19)23-11-7-18(8-12-23)15-26(23)3/h4-6,9-10,13-14,18,21H,7-8,11-12,15H2,1-3H3,(H,25,27) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci... |
Bioorg Med Chem Lett 28: 1043-1049 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50460368
(CHEMBL4226039)Show SMILES CN1CC2CCC1(CC2)[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 |r,wU:9.11,(28.97,-44.71,;28.97,-43.19,;27.64,-42.43,;27.64,-40.9,;28.97,-40.12,;30.29,-40.9,;30.29,-42.43,;29.69,-41.12,;28.61,-42.21,;31.61,-43.2,;31.61,-44.74,;32.95,-45.51,;34.28,-44.74,;32.94,-47.06,;31.61,-47.82,;31.6,-49.36,;32.94,-50.14,;34.28,-49.36,;35.62,-50.12,;34.28,-47.82,;35.61,-47.04,;32.95,-42.43,;34.28,-43.2,;35.62,-42.43,;35.62,-40.89,;34.28,-40.12,;32.95,-40.89,)| Show InChI InChI=1S/C22H24Cl2N2O/c1-26-14-15-10-12-22(26,13-11-15)20(16-6-3-2-4-7-16)25-21(27)17-8-5-9-18(23)19(17)24/h2-9,15,20H,10-14H2,1H3,(H,25,27)/t15?,20-,22?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci... |
Bioorg Med Chem Lett 28: 1043-1049 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50460371
(CHEMBL4228975)Show SMILES CC(C)N1C2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccccc1 |TLB:1:3:5.6:8.9| Show InChI InChI=1S/C25H32N2O/c1-17(2)27-21-13-15-25(27,16-14-21)23(20-11-6-5-7-12-20)26-24(28)22-18(3)9-8-10-19(22)4/h5-12,17,21,23H,13-16H2,1-4H3,(H,26,28) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci... |
Bioorg Med Chem Lett 28: 1043-1049 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50460344
(CHEMBL4228859)Show SMILES CN1CC2CCC1(CC2)[C@H](NC(=O)c1c(C)cccc1C)c1ccccc1 |r,wU:9.11,(15.28,-15.58,;15.28,-14.06,;13.95,-13.3,;13.95,-11.76,;15.28,-10.98,;16.61,-11.76,;16.61,-13.3,;16.01,-11.99,;14.93,-13.08,;17.93,-14.07,;17.93,-15.61,;19.26,-16.38,;20.6,-15.61,;19.26,-17.93,;17.92,-18.69,;16.6,-17.92,;17.92,-20.24,;19.26,-21.01,;20.6,-20.23,;20.6,-18.69,;21.92,-17.92,;19.27,-13.3,;20.6,-14.07,;21.94,-13.3,;21.94,-11.76,;20.6,-10.98,;19.26,-11.76,)| Show InChI InChI=1S/C24H30N2O/c1-17-8-7-9-18(2)21(17)23(27)25-22(20-10-5-4-6-11-20)24-14-12-19(13-15-24)16-26(24)3/h4-11,19,22H,12-16H2,1-3H3,(H,25,27)/t19?,22-,24?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci... |
Bioorg Med Chem Lett 28: 1043-1049 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50460377
(CHEMBL4225587)Show SMILES CN1CC2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)CC1CC1 |(8.01,-25.32,;8.01,-23.77,;6.66,-23,;6.66,-21.44,;8.01,-20.64,;9.36,-21.44,;9.36,-23,;8.75,-21.66,;7.65,-22.77,;10.7,-23.77,;10.7,-25.31,;12.03,-26.08,;13.35,-25.31,;12.03,-27.61,;10.7,-28.36,;9.35,-27.58,;10.69,-29.89,;12.02,-30.67,;13.35,-29.89,;13.35,-28.36,;14.69,-27.58,;12.03,-23.01,;12.02,-21.48,;13.35,-20.72,;14.68,-21.48,;14.68,-23.01,;13.35,-23.78,;16.03,-20.7,;15.24,-19.35,;16.81,-19.35,;17.38,-21.48,;18.72,-20.7,;20.28,-20.69,;19.5,-19.34,)| Show InChI InChI=1S/C28H36N2O3S/c1-19-5-4-6-20(2)25(19)27(31)29-26(28-15-13-21(14-16-28)17-30(28)3)23-9-11-24(12-10-23)34(32,33)18-22-7-8-22/h4-6,9-12,21-22,26H,7-8,13-18H2,1-3H3,(H,29,31) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci... |
Bioorg Med Chem Lett 28: 1043-1049 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM158386
(US9029381, 28)Show InChI InChI=1S/C18H23BrN2O/c19-14-4-1-3-13(11-14)16-12-17(16)18(22)21-9-7-20(8-10-21)15-5-2-6-15/h1,3-4,11,15-17H,2,5-10,12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 1.37 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca AB
US Patent
| Assay Description The H3 binding assay was/can be used to evaluate the ability of at least one compound in accordance with formula I, Ia, Ib, and/or Ic to inhibit [3H]... |
US Patent US9029381 (2015)
BindingDB Entry DOI: 10.7270/Q2HX1BDG |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327251
(CHEMBL1258047 | endo-3-(8-(pyridin-4-ylmethyl)-8-a...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)c1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C20H23N3O2/c21-20(24)15-2-1-3-18(10-15)25-19-11-16-4-5-17(12-19)23(16)13-14-6-8-22-9-7-14/h1-3,6-10,16-17,19H,4-5,11-13H2,(H2,21,24)/t16-,17+,19- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327266
(CHEMBL1258616 | endo-3-(8-(1-(5-methylthiophen-2-y...)Show SMILES CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)s1 |r,TLB:1:2:8.7.9:5.4| Show InChI InChI=1S/C21H26N2O2S/c1-13-6-9-20(26-13)14(2)23-16-7-8-17(23)12-19(11-16)25-18-5-3-4-15(10-18)21(22)24/h3-6,9-10,14,16-17,19H,7-8,11-12H2,1-2H3,(H2,22,24)/t14?,16-,17+,19- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM158358
(US9029381, 10 | US9029381, 11 | US9029381, 12)Show SMILES CC(C)N1CCN(CC1)C(=O)[C@H]1CC1c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H23FN2O/c1-12(2)19-7-9-20(10-8-19)17(21)16-11-15(16)13-3-5-14(18)6-4-13/h3-6,12,15-16H,7-11H2,1-2H3/t15?,16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 1.63 | n/a | n/a | n/a | n/a | n/a | n/a |
Astrazeneca AB
US Patent
| Assay Description The H3 binding assay was/can be used to evaluate the ability of at least one compound in accordance with formula I, Ia, Ib, and/or Ic to inhibit [3H]... |
US Patent US9029381 (2015)
BindingDB Entry DOI: 10.7270/Q2HX1BDG |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327274
(CHEMBL1257227 | endo-3-(8-((S)-1-phenylethyl)-8-az...)Show SMILES C[C@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1 |r,TLB:1:2:8.7.9:5.4| Show InChI InChI=1S/C22H26N2O2/c1-15(16-6-3-2-4-7-16)24-18-10-11-19(24)14-21(13-18)26-20-9-5-8-17(12-20)22(23)25/h2-9,12,15,18-19,21H,10-11,13-14H2,1H3,(H2,23,25)/t15-,18-,19+,21-/m0/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
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327253
(CHEMBL1258164 | endo-3-(8-(pyridin-2-ylmethyl)-8-a...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccn2)c1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C20H23N3O2/c21-20(24)14-4-3-6-18(10-14)25-19-11-16-7-8-17(12-19)23(16)13-15-5-1-2-9-22-15/h1-6,9-10,16-17,19H,7-8,11-13H2,(H2,21,24)/t16-,17+,19- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50188343
(4-(2,6-dichloro-phenyl)-8-[4-(2-diethylamino-ethox...)Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:17| Show InChI InChI=1S/C27H28Cl2N6O2/c1-3-33(4-2)14-15-37-20-10-8-19(9-11-20)31-27-30-17-18-16-23(25-21(28)6-5-7-22(25)29)35-24(36)12-13-34(35)26(18)32-27/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Lck in presence of 10 mM ATP |
Bioorg Med Chem Lett 16: 4257-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.072 BindingDB Entry DOI: 10.7270/Q22V2FQD |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327255
(CHEMBL1258279 | endo-3-(8-(cyclohexylmethyl)-8-aza...)Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C21H30N2O2/c22-21(24)16-7-4-8-19(11-16)25-20-12-17-9-10-18(13-20)23(17)14-15-5-2-1-3-6-15/h4,7-8,11,15,17-18,20H,1-3,5-6,9-10,12-14H2,(H2,22,24)/t17-,18+,20- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50460353
(CHEMBL4225116)Show SMILES Cc1cccc(C)c1C(=O)NC(c1ccccc1)C12CCC(CC1)N2C1CC1 |TLB:25:24:20.19:23.22| Show InChI InChI=1S/C25H30N2O/c1-17-7-6-8-18(2)22(17)24(28)26-23(19-9-4-3-5-10-19)25-15-13-21(14-16-25)27(25)20-11-12-20/h3-10,20-21,23H,11-16H2,1-2H3,(H,26,28) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci... |
Bioorg Med Chem Lett 28: 1043-1049 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474826
(CHEMBL330282)Show SMILES CC[C@H](C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12 Show InChI InChI=1S/C20H22FN5O/c1-3-13(2)23-20-22-10-9-16(24-20)18-17(14-5-7-15(21)8-6-14)19(27)26-12-4-11-25(18)26/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,23,24)/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM82551
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM82551
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Antagonist activity at human kappa opioid receptor expressed in HEK cells assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding |
Bioorg Med Chem Lett 20: 5405-10 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.112 BindingDB Entry DOI: 10.7270/Q2X92BHQ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327275
(CHEMBL1257347 | endo-3-(8-((R)-1-(5-methylthiophen...)Show SMILES C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)s1 |r,TLB:1:2:8.7.9:5.4| Show InChI InChI=1S/C21H26N2O2S/c1-13-6-9-20(26-13)14(2)23-16-7-8-17(23)12-19(11-16)25-18-5-3-4-15(10-18)21(22)24/h3-6,9-10,14,16-17,19H,7-8,11-12H2,1-2H3,(H2,22,24)/t14-,16-,17+,19-/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
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327245
(CHEMBL1255595 | endo-3-(8-((5-methylfuran-2-yl)met...)Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)o1 |r,TLB:5:6:12.11.13:9.8| Show InChI InChI=1S/C20H24N2O3/c1-13-5-8-18(24-13)12-22-15-6-7-16(22)11-19(10-15)25-17-4-2-3-14(9-17)20(21)23/h2-5,8-9,15-16,19H,6-7,10-12H2,1H3,(H2,21,23)/t15-,16+,19- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50460355
(CHEMBL4225853)Show SMILES Cc1cccc(C)c1C(=O)NC(c1ccccc1)C12CCC(CC1)CN2 Show InChI InChI=1S/C23H28N2O/c1-16-7-6-8-17(2)20(16)22(26)25-21(19-9-4-3-5-10-19)23-13-11-18(12-14-23)15-24-23/h3-10,18,21,24H,11-15H2,1-2H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci... |
Bioorg Med Chem Lett 28: 1043-1049 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50460354
(CHEMBL4228817)Show SMILES CN1C2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccccc1 |TLB:0:1:3.4:6.7| Show InChI InChI=1S/C23H28N2O/c1-16-8-7-9-17(2)20(16)22(26)24-21(18-10-5-4-6-11-18)23-14-12-19(13-15-23)25(23)3/h4-11,19,21H,12-15H2,1-3H3,(H,24,26) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci... |
Bioorg Med Chem Lett 28: 1043-1049 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50327277
(CHEMBL1257458 | endo-3-(8-((R)-1-(6-methylpyridin-...)Show SMILES C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)nc1 |r,TLB:1:2:8.7.9:5.4| Show InChI InChI=1S/C22H27N3O2/c1-14-6-7-17(13-24-14)15(2)25-18-8-9-19(25)12-21(11-18)27-20-5-3-4-16(10-20)22(23)26/h3-7,10,13,15,18-19,21H,8-9,11-12H2,1-2H3,(H2,23,26)/t15-,18-,19+,21-/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
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 5847-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50195351
(1-(3-(2,5-dimethylbenzyl)-5-(3-cyclohexylpropyl)ph...)Show SMILES Cc1ccc(O)cc1Nc1cc(OCCN2CCOCC2)nc(n1)-n1cnc2ccccc12 Show InChI InChI=1S/C24H26N6O3/c1-17-6-7-18(31)14-20(17)26-22-15-23(33-13-10-29-8-11-32-12-9-29)28-24(27-22)30-16-25-19-4-2-3-5-21(19)30/h2-7,14-16,31H,8-13H2,1H3,(H,26,27,28) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Lck by ProFlour assay |
Bioorg Med Chem Lett 16: 5973-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.132 BindingDB Entry DOI: 10.7270/Q2028R5P |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50361575
(CHEMBL1939495)Show SMILES CN1CCCC[C@H]1[C@@H](NC(=O)c1cccc(c1Cl)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C21H22ClF3N2O/c1-27-13-6-5-12-17(27)19(14-8-3-2-4-9-14)26-20(28)15-10-7-11-16(18(15)22)21(23,24)25/h2-4,7-11,17,19H,5-6,12-13H2,1H3,(H,26,28)/t17-,19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci... |
Bioorg Med Chem Lett 28: 1043-1049 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50186557
(1-(6-(4-(2-(diethylamino)ethoxy)phenylamino)pyrimi...)Show SMILES CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cc1 Show InChI InChI=1S/C33H36F3N7O3/c1-5-43(6-2)16-17-46-27-14-12-25(13-15-27)39-29-20-30(38-21-37-29)42(4)32(45)41-28-19-26(11-10-22(28)3)40-31(44)23-8-7-9-24(18-23)33(34,35)36/h7-15,18-21H,5-6,16-17H2,1-4H3,(H,40,44)(H,41,45)(H,37,38,39) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Lck |
Bioorg Med Chem Lett 16: 3646-50 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.072 BindingDB Entry DOI: 10.7270/Q2GF0T45 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50186560
(1-(6-(4-(2-(diethylamino)ethoxy)phenylamino)pyrimi...)Show SMILES CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2cc(O)ccc2C)cc1 Show InChI InChI=1S/C25H32N6O3/c1-5-31(6-2)13-14-34-21-11-8-19(9-12-21)28-23-16-24(27-17-26-23)30(4)25(33)29-22-15-20(32)10-7-18(22)3/h7-12,15-17,32H,5-6,13-14H2,1-4H3,(H,29,33)(H,26,27,28) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Lck |
Bioorg Med Chem Lett 16: 3646-50 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.072 BindingDB Entry DOI: 10.7270/Q2GF0T45 |
More data for this Ligand-Target Pair | |