Found 2413 hits with Last Name = 'adam' and Initial = 'l' 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 |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50546246
(CHEMBL4753043 | US11608319, Compound AR-13503)Show SMILES NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human GST-tagged ROCK2 catalytic domain expressed in baculovirus expression system by Kinase-Glo luminescent kinase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127474 BindingDB Entry DOI: 10.7270/Q25142V2 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50546246
(CHEMBL4753043 | US11608319, Compound AR-13503)Show SMILES NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human GST-tagged ROCK1 catalytic domain expressed in baculovirus expression system by Kinase-Glo luminescent kinase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127474 BindingDB Entry DOI: 10.7270/Q25142V2 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50299393
(4-((1-benzylpiperidin-4-yl)(3-carbamoylphenyl)amin...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(N)=O Show InChI InChI=1S/C30H36N4O2/c1-3-33(4-2)30(36)24-13-15-26(16-14-24)34(28-12-8-11-25(21-28)29(31)35)27-17-19-32(20-18-27)22-23-9-6-5-7-10-23/h5-16,21,27H,3-4,17-20,22H2,1-2H3,(H2,31,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5999-6003 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512 |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50315769
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Competitive inhibition of Aurora B ATP binding site |
J Med Chem 53: 3973-4001 (2010)
Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50315769
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Competitive inhibition of human Aurora B ATP binding site by rapid dilution method |
J Med Chem 53: 3973-4001 (2010)
Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50299390
(CHEMBL574640 | Methyl 3-((1-benzylpiperidin-4-yl)(...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(NC(=O)OC)c1 Show InChI InChI=1S/C31H38N4O3/c1-4-34(5-2)30(36)25-14-16-27(17-15-25)35(29-13-9-12-26(22-29)32-31(37)38-3)28-18-20-33(21-19-28)23-24-10-7-6-8-11-24/h6-17,22,28H,4-5,18-21,23H2,1-3H3,(H,32,37) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5999-6003 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50299385
(4-((1-benzylpiperidin-4-yl)(3-hydroxyphenyl)amino)...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C29H35N3O2/c1-3-31(4-2)29(34)24-13-15-25(16-14-24)32(27-11-8-12-28(33)21-27)26-17-19-30(20-18-26)22-23-9-6-5-7-10-23/h5-16,21,26,33H,3-4,17-20,22H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5999-6003 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Similars
| PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity for mu opioid receptor |
Bioorg Med Chem Lett 13: 1585-9 (2003)
BindingDB Entry DOI: 10.7270/Q2377838 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Similars
| PDB Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Aurora A |
J Med Chem 53: 3973-4001 (2010)
Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50546247
(AR-11324 FREE BASE | AR-13324 | Netarsudil | US114...)Show SMILES Cc1ccc(C(=O)OCc2ccc(cc2)[C@@H](CN)C(=O)Nc2ccc3cnccc3c2)c(C)c1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MCE PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human GST-tagged ROCK1 catalytic domain expressed in baculovirus expression system by Kinase-Glo luminescent kinase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127474 BindingDB Entry DOI: 10.7270/Q25142V2 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50546247
(AR-11324 FREE BASE | AR-13324 | Netarsudil | US114...)Show SMILES Cc1ccc(C(=O)OCc2ccc(cc2)[C@@H](CN)C(=O)Nc2ccc3cnccc3c2)c(C)c1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| MCE PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human GST-tagged ROCK2 catalytic domain expressed in baculovirus expression system by Kinase-Glo luminescent kinase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127474 BindingDB Entry DOI: 10.7270/Q25142V2 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50127350
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)Show SMILES COc1cc(O)ccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1 Show InChI InChI=1S/C31H37N5O3S/c1-39-29-17-28(37)14-13-24(29)20-35-15-7-12-26(35)18-33-31(40)36-21-23-9-6-5-8-22(23)16-27(36)19-32-30(38)34-25-10-3-2-4-11-25/h2-6,8-11,13-14,17,26-27,37H,7,12,15-16,18-21H2,1H3,(H,33,40)(H2,32,34,38)/t26-,27+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity for mu opioid receptor |
Bioorg Med Chem Lett 13: 1585-9 (2003)
BindingDB Entry DOI: 10.7270/Q2377838 |
More data for this Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM10323
((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.20 | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with... |
J Med Chem 44: 2015-26 (2001)
Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50299389
(4-((1-benzylpiperidin-4-yl)(3-(methylsulfonamido)p...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C30H38N4O3S/c1-4-33(5-2)30(35)25-14-16-27(17-15-25)34(29-13-9-12-26(22-29)31-38(3,36)37)28-18-20-32(21-19-28)23-24-10-7-6-8-11-24/h6-17,22,28,31H,4-5,18-21,23H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5999-6003 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512 |
More data for this Ligand-Target Pair | |
Aurora kinase C
(Homo sapiens (Human)) | BDBM50315769
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Competitive inhibition of human Aurora C ATP binding site |
J Med Chem 53: 3973-4001 (2010)
Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50299382
(4-((3-acetylphenyl)(1-benzylpiperidin-4-yl)amino)-...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(C)=O Show InChI InChI=1S/C31H37N3O2/c1-4-33(5-2)31(36)26-14-16-28(17-15-26)34(30-13-9-12-27(22-30)24(3)35)29-18-20-32(21-19-29)23-25-10-7-6-8-11-25/h6-17,22,29H,4-5,18-21,23H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5999-6003 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512 |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| PDB Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Competitive inhibition of Aurora B ATP binding site |
J Med Chem 53: 3973-4001 (2010)
Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50101623
((4-Hydroxy-2,6-dimethyl-phenyl)-[(1,2,3,4-tetrahyd...)Show SMILES Cc1cc(O)cc(C)c1C(NC(=O)C1Cc2ccccc2CN1)C(O)=O Show InChI InChI=1S/C20H22N2O4/c1-11-7-15(23)8-12(2)17(11)18(20(25)26)22-19(24)16-9-13-5-3-4-6-14(13)10-21-16/h3-8,16,18,21,23H,9-10H2,1-2H3,(H,22,24)(H,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity for delta opioid receptor |
Bioorg Med Chem Lett 13: 1585-9 (2003)
BindingDB Entry DOI: 10.7270/Q2377838 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/alpha
(Homo sapiens (Human)) | BDBM50178953
(CHEMBL3815166)Show SMILES CC(C)(C)c1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C27H26N2O4S/c1-27(2,3)21-7-5-6-20(16-21)25-17-24(18-8-10-19(11-9-18)26(30)31)28-29(25)22-12-14-23(15-13-22)34(4,32)33/h5-17H,1-4H3,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay |
Bioorg Med Chem Lett 26: 3274-3277 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.056 BindingDB Entry DOI: 10.7270/Q2FF3V9N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50299388
(4-((3-acetamidophenyl)(1-benzylpiperidin-4-yl)amin...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(NC(C)=O)c1 Show InChI InChI=1S/C31H38N4O2/c1-4-34(5-2)31(37)26-14-16-28(17-15-26)35(30-13-9-12-27(22-30)32-24(3)36)29-18-20-33(21-19-29)23-25-10-7-6-8-11-25/h6-17,22,29H,4-5,18-21,23H2,1-3H3,(H,32,36) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5999-6003 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50299391
(4-((3-aminophenyl)(1-benzylpiperidin-4-yl)amino)-N...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(N)c1 Show InChI InChI=1S/C29H36N4O/c1-3-32(4-2)29(34)24-13-15-26(16-14-24)33(28-12-8-11-25(30)21-28)27-17-19-31(20-18-27)22-23-9-6-5-7-10-23/h5-16,21,27H,3-4,17-20,22,30H2,1-2H3 | PDB
Reactome pathway 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 |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5999-6003 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50212876
(2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid | CHE...)Show SMILES OC(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H14Cl4O4/c22-14-6-4-12(17(24)8-14)10-28-19-3-1-2-16(21(26)27)20(19)29-11-13-5-7-15(23)9-18(13)25/h1-9H,10-11H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers-Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of 1,8-ANS from aFABP by fluorescence based-assay |
Bioorg Med Chem Lett 17: 3511-5 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50212876
(2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid | CHE...)Show SMILES OC(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H14Cl4O4/c22-14-6-4-12(17(24)8-14)10-28-19-3-1-2-16(21(26)27)20(19)29-11-13-5-7-15(23)9-18(13)25/h1-9H,10-11H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers-Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of 1,8-ANS from eFABP by fluorescence based-assay |
Bioorg Med Chem Lett 17: 3511-5 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50192462
((S)-2-(2,3-bis(2-chlorobenzyloxy)phenyl)-2-hydroxy...)Show SMILES O[C@H](C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl Show InChI InChI=1S/C22H18Cl2O5/c23-17-9-3-1-6-14(17)12-28-19-11-5-8-16(20(25)22(26)27)21(19)29-13-15-7-2-4-10-18(15)24/h1-11,20,25H,12-13H2,(H,26,27)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to ap2 |
J Med Chem 49: 5013-7 (2006)
Article DOI: 10.1021/jm060360i BindingDB Entry DOI: 10.7270/Q2TQ6157 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50212885
(CHEMBL245282 | [2'-(1-methyl-4,5-diphenyl-1H-imida...)Show SMILES Cn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1 Show InChI InChI=1S/C30H25N3O2/c1-33-29(22-13-6-3-7-14-22)28(21-11-4-2-5-12-21)32-30(33)26-18-9-8-17-25(26)23-15-10-16-24(19-23)31-20-27(34)35/h2-19,31H,20H2,1H3,(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers-Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of 1,8-ANS from aFABP by fluorescence based-assay |
Bioorg Med Chem Lett 17: 3511-5 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50127336
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)Show SMILES COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1OC Show InChI InChI=1S/C32H39N5O3S/c1-39-29-16-8-12-25(30(29)40-2)21-36-17-9-15-27(36)19-34-32(41)37-22-24-11-7-6-10-23(24)18-28(37)20-33-31(38)35-26-13-4-3-5-14-26/h3-8,10-14,16,27-28H,9,15,17-22H2,1-2H3,(H,34,41)(H2,33,35,38)/t27-,28+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity for mu opioid receptor |
Bioorg Med Chem Lett 13: 1585-9 (2003)
BindingDB Entry DOI: 10.7270/Q2377838 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/alpha
(Homo sapiens (Human)) | BDBM50178952
(CHEMBL3814574)Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C31H32N2O4S/c1-30(2)16-17-31(3,4)26-18-22(10-15-25(26)30)28-19-27(20-6-8-21(9-7-20)29(34)35)32-33(28)23-11-13-24(14-12-23)38(5,36)37/h6-15,18-19H,16-17H2,1-5H3,(H,34,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay |
Bioorg Med Chem Lett 26: 3274-3277 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.056 BindingDB Entry DOI: 10.7270/Q2FF3V9N |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50192463
(2-(2,3-bis(2-chlorobenzyloxy)phenyl)acetic acid | ...)Show InChI InChI=1S/C22H18Cl2O4/c23-18-9-3-1-6-16(18)13-27-20-11-5-8-15(12-21(25)26)22(20)28-14-17-7-2-4-10-19(17)24/h1-11H,12-14H2,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to human kFABP |
J Med Chem 49: 5013-7 (2006)
Article DOI: 10.1021/jm060360i BindingDB Entry DOI: 10.7270/Q2TQ6157 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50212884
(CHEMBL245284 | [2'-(1-ethyl-4,5-diphenyl-1H-imidaz...)Show SMILES CCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C31H26N2O3/c1-2-33-30(23-14-7-4-8-15-23)29(22-12-5-3-6-13-22)32-31(33)27-19-10-9-18-26(27)24-16-11-17-25(20-24)36-21-28(34)35/h3-20H,2,21H2,1H3,(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers-Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP |
Bioorg Med Chem Lett 17: 3511-5 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50212877
(CHEMBL245653 | [2'-(1-ethyl-4,5-diphenyl-1H-imidaz...)Show SMILES CCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1 Show InChI InChI=1S/C31H27N3O2/c1-2-34-30(23-14-7-4-8-15-23)29(22-12-5-3-6-13-22)33-31(34)27-19-10-9-18-26(27)24-16-11-17-25(20-24)32-21-28(35)36/h3-20,32H,2,21H2,1H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers-Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of 1,8-ANS from aFABP by fluorescence based-assay |
Bioorg Med Chem Lett 17: 3511-5 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50299384
(4-((1-benzylpiperidin-4-yl)(3-formylphenyl)amino)-...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(C=O)c1 Show InChI InChI=1S/C30H35N3O2/c1-3-32(4-2)30(35)26-13-15-27(16-14-26)33(29-12-8-11-25(21-29)23-34)28-17-19-31(20-18-28)22-24-9-6-5-7-10-24/h5-16,21,23,28H,3-4,17-20,22H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5999-6003 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50212886
(CHEMBL247529 | [2'-(3-ethyl-4,5-diphenyl-furan-2-y...)Show SMILES CCc1c(oc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C32H26O4/c1-2-26-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)36-32(26)28-19-10-9-18-27(28)24-16-11-17-25(20-24)35-21-29(33)34/h3-20H,2,21H2,1H3,(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers-Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of 1,8-ANS from aFABP by fluorescence based-assay |
Bioorg Med Chem Lett 17: 3511-5 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, heart
(Homo sapiens (Human)) | BDBM50212876
(2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid | CHE...)Show SMILES OC(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H14Cl4O4/c22-14-6-4-12(17(24)8-14)10-28-19-3-1-2-16(21(26)27)20(19)29-11-13-5-7-15(23)9-18(13)25/h1-9H,10-11H2,(H,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers-Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of 1,8-ANS from mFABP by fluorescence based-assay |
Bioorg Med Chem Lett 17: 3511-5 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119 |
More data for this Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Rattus norvegicus) | BDBM50406621
(CHEMBL9820)Show SMILES C[C@H](CC[S+](C)C(C)C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15| Show InChI InChI=1S/C27H47OS/c1-18(2)29(6)16-13-19(3)23-9-10-24-22-8-7-20-17-21(28)11-14-26(20,4)25(22)12-15-27(23,24)5/h7,18-19,21-25,28H,8-17H2,1-6H3/q+1/t19-,21+,22?,23?,24?,25?,26+,27-,29?/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of Delta-(24)-sterol reductase |
J Med Chem 35: 100-6 (1992)
BindingDB Entry DOI: 10.7270/Q2C82BHD |
More data for this Ligand-Target Pair | |
Aurora kinase C
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Competitive inhibition of Aurora C ATP binding site |
J Med Chem 53: 3973-4001 (2010)
Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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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 | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50127353
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)Show SMILES Oc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C30H35N5O2S/c36-28-14-6-8-22(16-28)20-34-15-7-13-26(34)18-32-30(38)35-21-24-10-5-4-9-23(24)17-27(35)19-31-29(37)33-25-11-2-1-3-12-25/h1-6,8-12,14,16,26-27,36H,7,13,15,17-21H2,(H,32,38)(H2,31,33,37)/t26-,27+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity for mu opioid receptor |
Bioorg Med Chem Lett 13: 1585-9 (2003)
BindingDB Entry DOI: 10.7270/Q2377838 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50127337
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)Show SMILES Oc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C30H35N5O2S/c36-28-14-12-22(13-15-28)20-34-16-6-11-26(34)18-32-30(38)35-21-24-8-5-4-7-23(24)17-27(35)19-31-29(37)33-25-9-2-1-3-10-25/h1-5,7-10,12-15,26-27,36H,6,11,16-21H2,(H,32,38)(H2,31,33,37)/t26-,27+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity for mu opioid receptor |
Bioorg Med Chem Lett 13: 1585-9 (2003)
BindingDB Entry DOI: 10.7270/Q2377838 |
More data for this Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM10323
((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with... |
J Med Chem 44: 2015-26 (2001)
Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50029969
(CHEMBL126078 | [2'-(4,5-Diphenyl-oxazol-2-yl)-biph...)Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1nc(c(o1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C29H21NO4/c31-26(32)19-33-23-15-9-14-22(18-23)24-16-7-8-17-25(24)29-30-27(20-10-3-1-4-11-20)28(34-29)21-12-5-2-6-13-21/h1-18H,19H2,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers-Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of 1,8-ANS from aFABP by fluorescence based-assay |
Bioorg Med Chem Lett 17: 3511-5 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha/alpha
(Homo sapiens (Human)) | BDBM50178954
(CHEMBL3813779)Show SMILES Cc1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C28H28N2O4S/c1-18-14-21(16-22(15-18)28(2,3)4)26-17-25(19-6-8-20(9-7-19)27(31)32)29-30(26)23-10-12-24(13-11-23)35(5,33)34/h6-17H,1-5H3,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay |
Bioorg Med Chem Lett 26: 3274-3277 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.056 BindingDB Entry DOI: 10.7270/Q2FF3V9N |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50127362
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)Show SMILES COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1O Show InChI InChI=1S/C31H37N5O3S/c1-39-28-15-7-11-24(29(28)37)20-35-16-8-14-26(35)18-33-31(40)36-21-23-10-6-5-9-22(23)17-27(36)19-32-30(38)34-25-12-3-2-4-13-25/h2-7,9-13,15,26-27,37H,8,14,16-21H2,1H3,(H,33,40)(H2,32,34,38)/t26-,27+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity for mu opioid receptor |
Bioorg Med Chem Lett 13: 1585-9 (2003)
BindingDB Entry DOI: 10.7270/Q2377838 |
More data for this Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Rattus norvegicus) | BDBM50406617
(CHEMBL276388)Show SMILES C[C@H](CCC(N)=N)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3 |r,c:12| Show InChI InChI=1S/C27H46N2O/c1-17(7-10-23(28)29)18-11-15-27(6)20-8-9-21-24(2,3)22(30)13-14-25(21,4)19(20)12-16-26(18,27)5/h17-18,21-22,30H,7-16H2,1-6H3,(H3,28,29)/t17-,18?,21?,22+,25-,26-,27+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of Delta-(24)-sterol reductase |
J Med Chem 35: 100-6 (1992)
BindingDB Entry DOI: 10.7270/Q2C82BHD |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50212873
(((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...)Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35) | PDB
UniProtKB/SwissProt
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Patents
| PDB Article PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers-Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP |
Bioorg Med Chem Lett 17: 3511-5 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha/alpha
(Homo sapiens (Human)) | BDBM50178961
(CHEMBL2385268)Show SMILES CC1(C)CC=C(c2ccccc2)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12 |t:4| Show InChI InChI=1S/C27H24O2/c1-27(2)17-16-23(21-6-4-3-5-7-21)24-18-20(12-15-25(24)27)9-8-19-10-13-22(14-11-19)26(28)29/h3-16,18H,17H2,1-2H3,(H,28,29)/b9-8+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay |
Bioorg Med Chem Lett 26: 3274-3277 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.056 BindingDB Entry DOI: 10.7270/Q2FF3V9N |
More data for this Ligand-Target Pair | |
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 | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50212883
(CHEMBL397385 | {2'-[1-(2-fluoro-ethyl)-4,5-dipheny...)Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1nc(c(-c2ccccc2)n1CCF)-c1ccccc1 Show InChI InChI=1S/C31H25FN2O3/c32-18-19-34-30(23-12-5-2-6-13-23)29(22-10-3-1-4-11-22)33-31(34)27-17-8-7-16-26(27)24-14-9-15-25(20-24)37-21-28(35)36/h1-17,20H,18-19,21H2,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers-Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP |
Bioorg Med Chem Lett 17: 3511-5 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50127354
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)Show SMILES COc1ccccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1 Show InChI InChI=1S/C31H37N5O2S/c1-38-29-16-8-7-12-25(29)21-35-17-9-15-27(35)19-33-31(39)36-22-24-11-6-5-10-23(24)18-28(36)20-32-30(37)34-26-13-3-2-4-14-26/h2-8,10-14,16,27-28H,9,15,17-22H2,1H3,(H,33,39)(H2,32,34,37)/t27-,28+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity for mu opioid receptor |
Bioorg Med Chem Lett 13: 1585-9 (2003)
BindingDB Entry DOI: 10.7270/Q2377838 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50192465
(2-(2,3-bis(2-chlorobenzyloxy)phenyl)-2-methoxyacet...)Show SMILES COC(C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl Show InChI InChI=1S/C23H20Cl2O5/c1-28-22(23(26)27)17-9-6-12-20(29-13-15-7-2-4-10-18(15)24)21(17)30-14-16-8-3-5-11-19(16)25/h2-12,22H,13-14H2,1H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to human kFABP |
J Med Chem 49: 5013-7 (2006)
Article DOI: 10.1021/jm060360i BindingDB Entry DOI: 10.7270/Q2TQ6157 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50212879
(CHEMBL248144 | [2'-(4,5-diphenyl-1H-imidazol-2-yl)...)Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C29H22N2O3/c32-26(33)19-34-23-15-9-14-22(18-23)24-16-7-8-17-25(24)29-30-27(20-10-3-1-4-11-20)28(31-29)21-12-5-2-6-13-21/h1-18H,19H2,(H,30,31)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers-Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of 1,8-ANS from aFABP by fluorescence based-assay |
Bioorg Med Chem Lett 17: 3511-5 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119 |
More data for this Ligand-Target Pair | |