Found 1193 hits with Last Name = 'hendricks' and Initial = 't' 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 |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50156552
(4-(2-((R)-2-((S,E)-3-hydroxy-4-(3-(methoxymethyl)p...)Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCc2ccc(cc2)C(O)=O)c1 |r| Show InChI InChI=1S/C25H29NO5/c1-31-17-20-4-2-3-19(15-20)16-23(27)11-9-22-10-12-24(28)26(22)14-13-18-5-7-21(8-6-18)25(29)30/h2-9,11,15,22-23,27H,10,12-14,16-17H2,1H3,(H,29,30)/b11-9+/t22-,23+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Binding affinity to human EP4 receptor |
J Med Chem 47: 6124-7 (2004)
Article DOI: 10.1021/jm049290a BindingDB Entry DOI: 10.7270/Q2P84BBQ |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50156551
(4-{2-[(2S)-2-[(3R)-3-[3-(4-chloro-2-methylphenyl)p...)Show SMILES Cc1cc(Cl)ccc1-c1cccc(c1)[C@H](O)CC[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C29H30ClNO4/c1-19-17-24(30)9-12-26(19)22-3-2-4-23(18-22)27(32)13-10-25-11-14-28(33)31(25)16-15-20-5-7-21(8-6-20)29(34)35/h2-9,12,17-18,25,27,32H,10-11,13-16H2,1H3,(H,34,35)/t25-,27+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Binding affinity to human EP4 receptor |
J Med Chem 47: 6124-7 (2004)
Article DOI: 10.1021/jm049290a BindingDB Entry DOI: 10.7270/Q2P84BBQ |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50156553
(4-(2-((R)-2-((S,E)-5-cyclobutyl-3-hydroxypent-1-en...)Show SMILES O[C@@H](CCC1CCC1)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C22H29NO4/c24-20(11-6-16-2-1-3-16)12-9-19-10-13-21(25)23(19)15-14-17-4-7-18(8-5-17)22(26)27/h4-5,7-9,12,16,19-20,24H,1-3,6,10-11,13-15H2,(H,26,27)/b12-9+/t19-,20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Binding affinity to human EP4 receptor |
J Med Chem 47: 6124-7 (2004)
Article DOI: 10.1021/jm049290a BindingDB Entry DOI: 10.7270/Q2P84BBQ |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50156547
(4-(2-((R)-2-((S)-3-hydroxyoct-1-enyl)-5-oxopyrroli...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C21H29NO4/c1-2-3-4-5-19(23)12-10-18-11-13-20(24)22(18)15-14-16-6-8-17(9-7-16)21(25)26/h6-10,12,18-19,23H,2-5,11,13-15H2,1H3,(H,25,26)/b12-10+/t18-,19-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Binding affinity to human EP4 receptor |
J Med Chem 47: 6124-7 (2004)
Article DOI: 10.1021/jm049290a BindingDB Entry DOI: 10.7270/Q2P84BBQ |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50055234
(1-(6-Methoxy-naphthalen-2-ylmethyl)-2,3-dioxo-2,3-...)Show SMILES COc1ccc2cc(CN3C(=O)C(=O)c4cc(ccc34)C(N)=O)ccc2c1 Show InChI InChI=1S/C21H16N2O4/c1-27-16-6-4-13-8-12(2-3-14(13)9-16)11-23-18-7-5-15(20(22)25)10-17(18)19(24)21(23)26/h2-10H,11H2,1H3,(H2,22,25) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD 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 |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human rhinovirus 3C protease |
J Med Chem 39: 5072-82 (1997)
Article DOI: 10.1021/jm960603e BindingDB Entry DOI: 10.7270/Q2K936MP |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50156554
(4-(2-((R)-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxopyrro...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O |r| Show InChI InChI=1S/C18H31NO4S/c1-2-3-4-6-16(20)10-8-15-9-11-17(21)19(15)12-14-24-13-5-7-18(22)23/h8,10,15-16,20H,2-7,9,11-14H2,1H3,(H,22,23)/b10-8+/t15-,16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Binding affinity to human EP4 receptor |
J Med Chem 47: 6124-7 (2004)
Article DOI: 10.1021/jm049290a BindingDB Entry DOI: 10.7270/Q2P84BBQ |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50055218
(1-(2-naphthlmethyl) isatin-5-carboxamide | 1-Napht...)Show SMILES NC(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1 Show InChI InChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human rhinovirus 3C protease |
J Med Chem 39: 5072-82 (1997)
Article DOI: 10.1021/jm960603e BindingDB Entry DOI: 10.7270/Q2K936MP |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50055232
(1-(6-Hydroxy-naphthalen-2-ylmethyl)-2,3-dioxo-2,3-...)Show SMILES NC(=O)c1ccc2N(Cc3ccc4cc(O)ccc4c3)C(=O)C(=O)c2c1 Show InChI InChI=1S/C20H14N2O4/c21-19(25)14-4-6-17-16(9-14)18(24)20(26)22(17)10-11-1-2-13-8-15(23)5-3-12(13)7-11/h1-9,23H,10H2,(H2,21,25) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD 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 |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human rhinovirus 3C protease |
J Med Chem 39: 5072-82 (1997)
Article DOI: 10.1021/jm960603e BindingDB Entry DOI: 10.7270/Q2K936MP |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50055213
(1-(3,5-Dihydroxy-benzyl)-2,3-dioxo-2,3-dihydro-1H-...)Show SMILES NC(=O)c1ccc2N(Cc3cc(O)cc(O)c3)C(=O)C(=O)c2c1 Show InChI InChI=1S/C16H12N2O5/c17-15(22)9-1-2-13-12(5-9)14(21)16(23)18(13)7-8-3-10(19)6-11(20)4-8/h1-6,19-20H,7H2,(H2,17,22) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD 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 |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human rhinovirus 3C protease |
J Med Chem 39: 5072-82 (1997)
Article DOI: 10.1021/jm960603e BindingDB Entry DOI: 10.7270/Q2K936MP |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50142481
(7-[(R)-2-((E)-(S)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrr...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O Show InChI InChI=1S/C19H33NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h11,13,16-17,21H,2-10,12,14-15H2,1H3,(H,23,24)/b13-11+/t16-,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Binding affinity to human EP4 receptor |
J Med Chem 47: 6124-7 (2004)
Article DOI: 10.1021/jm049290a BindingDB Entry DOI: 10.7270/Q2P84BBQ |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065603
(CHEMBL96185 | {(S)-1-[(S)-1-((S)-1-Formyl-3-methan...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)=O)C=O Show InChI InChI=1S/C28H37N3O6S/c1-20(2)16-24(31-28(35)37-19-22-12-8-5-9-13-22)27(34)30-25(17-21-10-6-4-7-11-21)26(33)29-23(18-32)14-15-38(3)36/h4-13,18,20,23-25H,14-17,19H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/t23-,24-,25-,38?/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against HRV-14 3C protease. |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065588
(CHEMBL96803 | [(S)-1-((S)-1-{(S)-1-Formyl-2-[(isox...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)c1ccno1)C=O Show InChI InChI=1S/C30H35N5O7/c1-20(2)15-24(35-30(40)41-19-22-11-7-4-8-12-22)28(38)34-25(16-21-9-5-3-6-10-21)27(37)33-23(18-36)17-31-29(39)26-13-14-32-42-26/h3-14,18,20,23-25H,15-17,19H2,1-2H3,(H,31,39)(H,33,37)(H,34,38)(H,35,40)/t23-,24-,25-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against HRV-14 3C protease. |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065598
(CHEMBL419332 | {(S)-1-[(S)-1-((S)-3-Dimethylcarbam...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)N(C)C)C=O Show InChI InChI=1S/C30H40N4O6/c1-21(2)17-25(33-30(39)40-20-23-13-9-6-10-14-23)29(38)32-26(18-22-11-7-5-8-12-22)28(37)31-24(19-35)15-16-27(36)34(3)4/h5-14,19,21,24-26H,15-18,20H2,1-4H3,(H,31,37)(H,32,38)(H,33,39)/t24-,25-,26-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against HRV-14 3C protease. |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065590
(((S)-1-{(S)-1-[(S)-1-(Acetylamino-methyl)-2-oxo-et...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(C)=O)C=O Show InChI InChI=1S/C28H36N4O6/c1-19(2)14-24(32-28(37)38-18-22-12-8-5-9-13-22)27(36)31-25(15-21-10-6-4-7-11-21)26(35)30-23(17-33)16-29-20(3)34/h4-13,17,19,23-25H,14-16,18H2,1-3H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t23-,24-,25-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against HRV-14 3C protease. |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50055217
(1-(3,4-Dimethyl-benzyl)-2,3-dioxo-2,3-dihydro-1H-i...)Show InChI InChI=1S/C18H16N2O3/c1-10-3-4-12(7-11(10)2)9-20-15-6-5-13(17(19)22)8-14(15)16(21)18(20)23/h3-8H,9H2,1-2H3,(H2,19,22) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human rhinovirus 3C protease |
J Med Chem 39: 5072-82 (1997)
Article DOI: 10.1021/jm960603e BindingDB Entry DOI: 10.7270/Q2K936MP |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50156548
(5-(2-((R)-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxopyrro...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCc1ccc(s1)C(O)=O |r| Show InChI InChI=1S/C19H27NO4S/c1-2-3-4-5-15(21)8-6-14-7-11-18(22)20(14)13-12-16-9-10-17(25-16)19(23)24/h6,8-10,14-15,21H,2-5,7,11-13H2,1H3,(H,23,24)/b8-6+/t14-,15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Binding affinity to human EP4 receptor |
J Med Chem 47: 6124-7 (2004)
Article DOI: 10.1021/jm049290a BindingDB Entry DOI: 10.7270/Q2P84BBQ |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50156555
(2-(4-((R)-2-((S,E)-3-hydroxy-4-(3-(trifluoromethyl...)Show SMILES O[C@@H](Cc1cccc(c1)C(F)(F)F)\C=C\[C@H]1CCC(=O)N1CCCCOCC(O)=O |r| Show InChI InChI=1S/C21H26F3NO5/c22-21(23,24)16-5-3-4-15(12-16)13-18(26)8-6-17-7-9-19(27)25(17)10-1-2-11-30-14-20(28)29/h3-6,8,12,17-18,26H,1-2,7,9-11,13-14H2,(H,28,29)/b8-6+/t17-,18+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Binding affinity to human EP4 receptor |
J Med Chem 47: 6124-7 (2004)
Article DOI: 10.1021/jm049290a BindingDB Entry DOI: 10.7270/Q2P84BBQ |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065586
(((S)-3-Methyl-1-{(S)-1-[(S)-2-oxo-1-(propionylamin...)Show SMILES CCC(=O)NC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C29H38N4O6/c1-4-26(35)30-17-23(18-34)31-27(36)25(16-21-11-7-5-8-12-21)32-28(37)24(15-20(2)3)33-29(38)39-19-22-13-9-6-10-14-22/h5-14,18,20,23-25H,4,15-17,19H2,1-3H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t23-,24-,25-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against HRV-14 3C protease. |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50055225
(1-(4-Methyl-benzyl)-2,3-dioxo-2,3-dihydro-1H-indol...)Show InChI InChI=1S/C17H14N2O3/c1-10-2-4-11(5-3-10)9-19-14-7-6-12(16(18)21)8-13(14)15(20)17(19)22/h2-8H,9H2,1H3,(H2,18,21) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD 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 |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human rhinovirus 3C protease |
J Med Chem 39: 5072-82 (1997)
Article DOI: 10.1021/jm960603e BindingDB Entry DOI: 10.7270/Q2K936MP |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065595
(((S)-1-{(S)-1-[(S)-2-(3,3-Dimethyl-ureido)-1-formy...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)N(C)C)C=O Show InChI InChI=1S/C29H39N5O6/c1-20(2)15-24(33-29(39)40-19-22-13-9-6-10-14-22)27(37)32-25(16-21-11-7-5-8-12-21)26(36)31-23(18-35)17-30-28(38)34(3)4/h5-14,18,20,23-25H,15-17,19H2,1-4H3,(H,30,38)(H,31,36)(H,32,37)(H,33,39)/t23-,24-,25-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD 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 |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against HRV-14 3C protease. |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50055212
(1-(3-Hydroxy-benzyl)-2,3-dioxo-2,3-dihydro-1H-indo...)Show InChI InChI=1S/C16H12N2O4/c17-15(21)10-4-5-13-12(7-10)14(20)16(22)18(13)8-9-2-1-3-11(19)6-9/h1-7,19H,8H2,(H2,17,21) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human rhinovirus 3C protease |
J Med Chem 39: 5072-82 (1997)
Article DOI: 10.1021/jm960603e BindingDB Entry DOI: 10.7270/Q2K936MP |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065599
(CHEMBL94652 | {(S)-1-[(S)-1-((S)-2-Benzoylamino-1-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)c1ccccc1)C=O Show InChI InChI=1S/C33H38N4O6/c1-23(2)18-28(37-33(42)43-22-25-14-8-4-9-15-25)32(41)36-29(19-24-12-6-3-7-13-24)31(40)35-27(21-38)20-34-30(39)26-16-10-5-11-17-26/h3-17,21,23,27-29H,18-20,22H2,1-2H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t27-,28-,29-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against HRV-14 3C protease. |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50156549
(4-(2-((S)-2-((S)-3-hydroxyoctyl)-5-oxopyrrolidin-1...)Show SMILES CCCCC[C@H](O)CC[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C21H31NO4/c1-2-3-4-5-19(23)12-10-18-11-13-20(24)22(18)15-14-16-6-8-17(9-7-16)21(25)26/h6-9,18-19,23H,2-5,10-15H2,1H3,(H,25,26)/t18-,19-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Binding affinity to human EP4 receptor |
J Med Chem 47: 6124-7 (2004)
Article DOI: 10.1021/jm049290a BindingDB Entry DOI: 10.7270/Q2P84BBQ |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065601
(CHEMBL95031 | {(S)-1-[(S)-1-((S)-1-Formyl-2-isobut...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)C(C)C)C=O Show InChI InChI=1S/C30H40N4O6/c1-20(2)15-25(34-30(39)40-19-23-13-9-6-10-14-23)29(38)33-26(16-22-11-7-5-8-12-22)28(37)32-24(18-35)17-31-27(36)21(3)4/h5-14,18,20-21,24-26H,15-17,19H2,1-4H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t24-,25-,26-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against HRV-14 3C protease. |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50156546
(4-(2-((S)-2-((S)-5-cyclobutyl-3-hydroxypentyl)-5-o...)Show SMILES O[C@@H](CCC1CCC1)CC[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C22H31NO4/c24-20(11-6-16-2-1-3-16)12-9-19-10-13-21(25)23(19)15-14-17-4-7-18(8-5-17)22(26)27/h4-5,7-8,16,19-20,24H,1-3,6,9-15H2,(H,26,27)/t19-,20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Binding affinity to human EP4 receptor |
J Med Chem 47: 6124-7 (2004)
Article DOI: 10.1021/jm049290a BindingDB Entry DOI: 10.7270/Q2P84BBQ |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50055220
(1-Benzyl-2,3-dioxo-2,3-dihydro-1H-indole-5-carboxy...)Show InChI InChI=1S/C16H12N2O3/c17-15(20)11-6-7-13-12(8-11)14(19)16(21)18(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,20) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL 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 |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human rhinovirus 3C protease |
J Med Chem 39: 5072-82 (1997)
Article DOI: 10.1021/jm960603e BindingDB Entry DOI: 10.7270/Q2K936MP |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50055229
(1-(3,5-Dimethoxy-benzyl)-2,3-dioxo-2,3-dihydro-1H-...)Show SMILES COc1cc(CN2C(=O)C(=O)c3cc(ccc23)C(N)=O)cc(OC)c1 Show InChI InChI=1S/C18H16N2O5/c1-24-12-5-10(6-13(8-12)25-2)9-20-15-4-3-11(17(19)22)7-14(15)16(21)18(20)23/h3-8H,9H2,1-2H3,(H2,19,22) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human rhinovirus 3C protease |
J Med Chem 39: 5072-82 (1997)
Article DOI: 10.1021/jm960603e BindingDB Entry DOI: 10.7270/Q2K936MP |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50055226
(2,3-Dioxo-1-(3-phenyl-propyl)-2,3-dihydro-1H-indol...)Show InChI InChI=1S/C18H16N2O3/c19-17(22)13-8-9-15-14(11-13)16(21)18(23)20(15)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H2,19,22) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human rhinovirus 3C protease |
J Med Chem 39: 5072-82 (1997)
Article DOI: 10.1021/jm960603e BindingDB Entry DOI: 10.7270/Q2K936MP |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50055214
(1-(3-Methoxy-benzyl)-2,3-dioxo-2,3-dihydro-1H-indo...)Show InChI InChI=1S/C17H14N2O4/c1-23-12-4-2-3-10(7-12)9-19-14-6-5-11(16(18)21)8-13(14)15(20)17(19)22/h2-8H,9H2,1H3,(H2,18,21) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD 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 |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human rhinovirus 3C protease |
J Med Chem 39: 5072-82 (1997)
Article DOI: 10.1021/jm960603e BindingDB Entry DOI: 10.7270/Q2K936MP |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP2 subtype
(Homo sapiens (Human)) | BDBM50156549
(4-(2-((S)-2-((S)-3-hydroxyoctyl)-5-oxopyrrolidin-1...)Show SMILES CCCCC[C@H](O)CC[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C21H31NO4/c1-2-3-4-5-19(23)12-10-18-11-13-20(24)22(18)15-14-16-6-8-17(9-7-16)21(25)26/h6-9,18-19,23H,2-5,10-15H2,1H3,(H,25,26)/t18-,19-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Binding affinity to human EP2 receptor |
J Med Chem 47: 6124-7 (2004)
Article DOI: 10.1021/jm049290a BindingDB Entry DOI: 10.7270/Q2P84BBQ |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065590
(((S)-1-{(S)-1-[(S)-1-(Acetylamino-methyl)-2-oxo-et...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(C)=O)C=O Show InChI InChI=1S/C28H36N4O6/c1-19(2)14-24(32-28(37)38-18-22-12-8-5-9-13-22)27(36)31-25(15-21-10-6-4-7-11-21)26(35)30-23(17-33)16-29-20(3)34/h4-13,17,19,23-25H,14-16,18H2,1-3H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t23-,24-,25-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity of the compound was measured against HRV-16 3C protease |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065591
(((S)-1-{(S)-1-[(S)-1-Formyl-3-(trityl-carbamoyl)-p...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C=O Show InChI InChI=1S/C47H50N4O6/c1-34(2)30-41(50-46(56)57-33-36-20-10-4-11-21-36)45(55)49-42(31-35-18-8-3-9-19-35)44(54)48-40(32-52)28-29-43(53)51-47(37-22-12-5-13-23-37,38-24-14-6-15-25-38)39-26-16-7-17-27-39/h3-27,32,34,40-42H,28-31,33H2,1-2H3,(H,48,54)(H,49,55)(H,50,56)(H,51,53)/t40-,41-,42-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD 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 |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against HRV-14 3C protease. |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50055230
(1-Biphenyl-4-ylmethyl-2,3-dioxo-2,3-dihydro-1H-ind...)Show SMILES NC(=O)c1ccc2N(Cc3ccc(cc3)-c3ccccc3)C(=O)C(=O)c2c1 Show InChI InChI=1S/C22H16N2O3/c23-21(26)17-10-11-19-18(12-17)20(25)22(27)24(19)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2,(H2,23,26) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human rhinovirus 3C protease |
J Med Chem 39: 5072-82 (1997)
Article DOI: 10.1021/jm960603e BindingDB Entry DOI: 10.7270/Q2K936MP |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065596
(((S)-1-{(S)-1-[(S)-1-Formyl-2-(2-oxo-pyrrolidin-1-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CN1CCCC1=O)C=O Show InChI InChI=1S/C30H38N4O6/c1-21(2)16-25(33-30(39)40-20-23-12-7-4-8-13-23)29(38)32-26(17-22-10-5-3-6-11-22)28(37)31-24(19-35)18-34-15-9-14-27(34)36/h3-8,10-13,19,21,24-26H,9,14-18,20H2,1-2H3,(H,31,37)(H,32,38)(H,33,39)/t24-,25-,26-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against HRV-14 3C protease. |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065594
(((S)-1-{(S)-1-[(S)-1-(tert-Butoxycarbonylamino-met...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C=O Show InChI InChI=1S/C31H42N4O7/c1-21(2)16-25(35-30(40)41-20-23-14-10-7-11-15-23)28(38)34-26(17-22-12-8-6-9-13-22)27(37)33-24(19-36)18-32-29(39)42-31(3,4)5/h6-15,19,21,24-26H,16-18,20H2,1-5H3,(H,32,39)(H,33,37)(H,34,38)(H,35,40)/t24-,25-,26-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against HRV-14 3C protease. |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065590
(((S)-1-{(S)-1-[(S)-1-(Acetylamino-methyl)-2-oxo-et...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(C)=O)C=O Show InChI InChI=1S/C28H36N4O6/c1-19(2)14-24(32-28(37)38-18-22-12-8-5-9-13-22)27(36)31-25(15-21-10-6-4-7-11-21)26(35)30-23(17-33)16-29-20(3)34/h4-13,17,19,23-25H,14-16,18H2,1-3H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t23-,24-,25-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity of the compound was measured against HRV-2 3C protease |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065589
(CHEMBL95120 | {(S)-1-[(S)-1-((S)-1-Formylaminometh...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC=O)C=O Show InChI InChI=1S/C27H34N4O6/c1-19(2)13-23(31-27(36)37-17-21-11-7-4-8-12-21)26(35)30-24(14-20-9-5-3-6-10-20)25(34)29-22(16-32)15-28-18-33/h3-12,16,18-19,22-24H,13-15,17H2,1-2H3,(H,28,33)(H,29,34)(H,30,35)(H,31,36)/t22-,23-,24-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against HRV-14 3C protease. |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP2 subtype
(Homo sapiens (Human)) | BDBM50156553
(4-(2-((R)-2-((S,E)-5-cyclobutyl-3-hydroxypent-1-en...)Show SMILES O[C@@H](CCC1CCC1)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C22H29NO4/c24-20(11-6-16-2-1-3-16)12-9-19-10-13-21(25)23(19)15-14-17-4-7-18(8-5-17)22(26)27/h4-5,7-9,12,16,19-20,24H,1-3,6,10-11,13-15H2,(H,26,27)/b12-9+/t19-,20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Binding affinity to human EP2 receptor |
J Med Chem 47: 6124-7 (2004)
Article DOI: 10.1021/jm049290a BindingDB Entry DOI: 10.7270/Q2P84BBQ |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50087766
(1-Oxo-1H-indene-5-carboxylic acid amide | CHEMBL47...)Show InChI InChI=1S/C10H7NO2/c11-10(13)7-1-3-8-6(5-7)2-4-9(8)12/h1-5H,(H2,11,13) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description The compound was tested for binding affinity of Human Rhinovirus (HRV) 3C Protease. |
J Med Chem 43: 1670-83 (2000)
BindingDB Entry DOI: 10.7270/Q2GX49ST |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP2 subtype
(Homo sapiens (Human)) | BDBM50156547
(4-(2-((R)-2-((S)-3-hydroxyoct-1-enyl)-5-oxopyrroli...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C21H29NO4/c1-2-3-4-5-19(23)12-10-18-11-13-20(24)22(18)15-14-16-6-8-17(9-7-16)21(25)26/h6-10,12,18-19,23H,2-5,11,13-15H2,1H3,(H,25,26)/b12-10+/t18-,19-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Binding affinity to human EP2 receptor |
J Med Chem 47: 6124-7 (2004)
Article DOI: 10.1021/jm049290a BindingDB Entry DOI: 10.7270/Q2P84BBQ |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065597
(((S)-1-{(S)-1-[(S)-1-(Methoxycarbonylamino-methyl)...)Show SMILES COC(=O)NC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C28H36N4O7/c1-19(2)14-23(32-28(37)39-18-21-12-8-5-9-13-21)26(35)31-24(15-20-10-6-4-7-11-20)25(34)30-22(17-33)16-29-27(36)38-3/h4-13,17,19,22-24H,14-16,18H2,1-3H3,(H,29,36)(H,30,34)(H,31,35)(H,32,37)/t22-,23-,24-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against HRV-14 3C protease. |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065593
(((S)-1-{(S)-1-[(S)-1-Formyl-2-(2,2,2-trifluoro-ace...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)C(F)(F)F)C=O Show InChI InChI=1S/C28H33F3N4O6/c1-18(2)13-22(35-27(40)41-17-20-11-7-4-8-12-20)25(38)34-23(14-19-9-5-3-6-10-19)24(37)33-21(16-36)15-32-26(39)28(29,30)31/h3-12,16,18,21-23H,13-15,17H2,1-2H3,(H,32,39)(H,33,37)(H,34,38)(H,35,40)/t21-,22-,23-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD 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 |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against HRV-14 3C protease. |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065590
(((S)-1-{(S)-1-[(S)-1-(Acetylamino-methyl)-2-oxo-et...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(C)=O)C=O Show InChI InChI=1S/C28H36N4O6/c1-19(2)14-24(32-28(37)38-18-22-12-8-5-9-13-22)27(36)31-25(15-21-10-6-4-7-11-21)26(35)30-23(17-33)16-29-20(3)34/h4-13,17,19,23-25H,14-16,18H2,1-3H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t23-,24-,25-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity of the compound was measured against HRV-89 3C protease |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065587
(CHEMBL97090 | {(S)-1-[(S)-1-((S)-3-Cyano-1-formyl-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC#N)C=O Show InChI InChI=1S/C28H34N4O5/c1-20(2)16-24(32-28(36)37-19-22-12-7-4-8-13-22)27(35)31-25(17-21-10-5-3-6-11-21)26(34)30-23(18-33)14-9-15-29/h3-8,10-13,18,20,23-25H,9,14,16-17,19H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)/t23-,24-,25-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against HRV-14 3C protease. |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP2 subtype
(Homo sapiens (Human)) | BDBM50156546
(4-(2-((S)-2-((S)-5-cyclobutyl-3-hydroxypentyl)-5-o...)Show SMILES O[C@@H](CCC1CCC1)CC[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C22H31NO4/c24-20(11-6-16-2-1-3-16)12-9-19-10-13-21(25)23(19)15-14-17-4-7-18(8-5-17)22(26)27/h4-5,7-8,16,19-20,24H,1-3,6,9-15H2,(H,26,27)/t19-,20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Binding affinity to human EP2 receptor |
J Med Chem 47: 6124-7 (2004)
Article DOI: 10.1021/jm049290a BindingDB Entry DOI: 10.7270/Q2P84BBQ |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50087780
(3-(3-Oxo-3-phenyl-propenyl)-benzamide | CHEMBL2949...)Show InChI InChI=1S/C16H13NO2/c17-16(19)14-8-4-5-12(11-14)9-10-15(18)13-6-2-1-3-7-13/h1-11H,(H2,17,19)/b10-9+ | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description The compound was tested for binding affinity of Human Rhinovirus (HRV) 3C Protease. |
J Med Chem 43: 1670-83 (2000)
BindingDB Entry DOI: 10.7270/Q2GX49ST |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065600
(((S)-1-{(S)-1-[(S)-2-(Acetyl-methyl-amino)-1-formy...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CN(C)C(C)=O)C=O Show InChI InChI=1S/C29H38N4O6/c1-20(2)15-25(32-29(38)39-19-23-13-9-6-10-14-23)28(37)31-26(16-22-11-7-5-8-12-22)27(36)30-24(18-34)17-33(4)21(3)35/h5-14,18,20,24-26H,15-17,19H2,1-4H3,(H,30,36)(H,31,37)(H,32,38)/t24-,25-,26-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 469 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against HRV-14 3C protease. |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50156556
(2-(2-((R)-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxopyrro...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCSCC(O)=O |r| Show InChI InChI=1S/C16H27NO4S/c1-2-3-4-5-14(18)8-6-13-7-9-15(19)17(13)10-11-22-12-16(20)21/h6,8,13-14,18H,2-5,7,9-12H2,1H3,(H,20,21)/b8-6+/t13-,14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Binding affinity to human EP4 receptor |
J Med Chem 47: 6124-7 (2004)
Article DOI: 10.1021/jm049290a BindingDB Entry DOI: 10.7270/Q2P84BBQ |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50065592
(CHEMBL97497 | {(S)-1-[(S)-1-((S)-1-Formyl-2-methan...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNS(C)(=O)=O)C=O Show InChI InChI=1S/C27H36N4O7S/c1-19(2)14-23(31-27(35)38-18-21-12-8-5-9-13-21)26(34)30-24(15-20-10-6-4-7-11-20)25(33)29-22(17-32)16-28-39(3,36)37/h4-13,17,19,22-24,28H,14-16,18H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/t22-,23-,24-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity against HRV-14 3C protease. |
J Med Chem 41: 2786-805 (1998)
Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50156550
(3-(3-((R)-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxopyrro...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCc1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C22H31NO4/c1-2-3-4-10-20(24)13-11-19-12-14-21(25)23(19)15-6-8-17-7-5-9-18(16-17)22(26)27/h5,7,9,11,13,16,19-20,24H,2-4,6,8,10,12,14-15H2,1H3,(H,26,27)/b13-11+/t19-,20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description Binding affinity to human EP4 receptor |
J Med Chem 47: 6124-7 (2004)
Article DOI: 10.1021/jm049290a BindingDB Entry DOI: 10.7270/Q2P84BBQ |
More data for this Ligand-Target Pair | |