Found 43 hits of Enzyme Inhibition Constant Data 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 |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50358430
(CHEMBL1614725)Show SMILES CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 Show InChI InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34) | PDB MMDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibition of [3H]-diprenorphine binding to kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50358430
(CHEMBL1614725)Show SMILES CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 Show InChI InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibition of [3H]-diprenorphine binding to kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50132489
(CHEMBL3633929)Show SMILES CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H18ClN5O2/c1-14(29)27-15-5-7-20-18(10-15)22(26-13-25-20)28-16-6-8-21(19(23)11-16)30-12-17-4-2-3-9-24-17/h2-11,13H,12H2,1H3,(H,27,29)(H,25,26,28) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50132492
(CHEMBL3633774)Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H15ClF3N5O2/c23-17-10-14(5-7-19(17)33-15-3-1-2-12(8-15)22(24,25)26)30-20-16-9-13(31-21(27)32)4-6-18(16)28-11-29-20/h1-11H,(H3,27,31,32)(H,28,29,30) | PDB MMDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Thrombin was determined |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB MMDB
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| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory constant against Adenosine A2A receptor using [3H]-SCH-58,261 as radio ligand |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50132495
(CHEMBL3633940)Show SMILES NC(=O)Nc1ccc(cc1)C(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H16ClFN6O2/c23-17-10-15(5-7-18(17)24)28-20-16-9-14(6-8-19(16)26-11-27-20)29-21(31)12-1-3-13(4-2-12)30-22(25)32/h1-11H,(H,29,31)(H3,25,30,32)(H,26,27,28) | PDB MMDB
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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB MMDB
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50132489
(CHEMBL3633929)Show SMILES CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H18ClN5O2/c1-14(29)27-15-5-7-20-18(10-15)22(26-13-25-20)28-16-6-8-21(19(23)11-16)30-12-17-4-2-3-9-24-17/h2-11,13H,12H2,1H3,(H,27,29)(H,25,26,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50132502
(CHEMBL3633934)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#7]-c1ccc2ncnc(-[#7]-c3ccc(-[#8]-c4cccc(c4)C(F)(F)F)c(Cl)c3)c2c1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C29H24ClF3N4O5/c1-3-40-27(38)22(28(39)41-4-2)15-34-18-8-10-24-21(13-18)26(36-16-35-24)37-19-9-11-25(23(30)14-19)42-20-7-5-6-17(12-20)29(31,32)33/h5-16,34H,3-4H2,1-2H3,(H,35,36,37) | PDB MMDB
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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50132506
(CHEMBL3633930)Show SMILES CCNC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c2c1 Show InChI InChI=1S/C24H19ClF3N5O2/c1-2-29-23(34)33-15-6-8-20-18(11-15)22(31-13-30-20)32-16-7-9-21(19(25)12-16)35-17-5-3-4-14(10-17)24(26,27)28/h3-13H,2H2,1H3,(H2,29,33,34)(H,30,31,32) | PDB MMDB
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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50132494
(CHEMBL3633941)Show SMILES CCNC(=O)Nc1ccc(cc1)C(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C24H20ClFN6O2/c1-2-27-24(34)32-15-5-3-14(4-6-15)23(33)31-16-8-10-21-18(11-16)22(29-13-28-21)30-17-7-9-20(26)19(25)12-17/h3-13H,2H2,1H3,(H,31,33)(H2,27,32,34)(H,28,29,30) | PDB MMDB
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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50132504
(CHEMBL3633932)Show SMILES CCNC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C24H21ClFN5O2/c1-2-27-24(32)31-17-6-8-21-19(11-17)23(29-14-28-21)30-18-7-9-22(20(25)12-18)33-13-15-4-3-5-16(26)10-15/h3-12,14H,2,13H2,1H3,(H2,27,31,32)(H,28,29,30) | PDB MMDB
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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50161957
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
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| Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Effective concentration against retinoic acid receptor alpha in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (4.6-8.9) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50132492
(CHEMBL3633774)Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H15ClF3N5O2/c23-17-10-14(5-7-19(17)33-15-3-1-2-12(8-15)22(24,25)26)30-20-16-9-13(31-21(27)32)4-6-18(16)28-11-29-20/h1-11H,(H3,27,31,32)(H,28,29,30) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50161957
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ | PDB MMDB
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CHEMBL MCE PC cid PC sid UniChem
Patents
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| Article PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibition of [3H]-diprenorphine binding to kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50132490
(CHEMBL3633928)Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H17ClFN5O2/c23-18-10-16(5-7-20(18)31-11-13-2-1-3-14(24)8-13)28-21-17-9-15(29-22(25)30)4-6-19(17)26-12-27-21/h1-10,12H,11H2,(H3,25,29,30)(H,26,27,28) | PDB MMDB
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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50132504
(CHEMBL3633932)Show SMILES CCNC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C24H21ClFN5O2/c1-2-27-24(32)31-17-6-8-21-19(11-17)23(29-14-28-21)30-18-7-9-22(20(25)12-18)33-13-15-4-3-5-16(26)10-15/h3-12,14H,2,13H2,1H3,(H2,27,31,32)(H,28,29,30) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibition concentration of the compound against beta tryptase was determined |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50132503
(CHEMBL3633933)Show SMILES CCNC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1 Show InChI InChI=1S/C23H21ClN6O2/c1-2-25-23(31)30-15-6-8-20-18(11-15)22(28-14-27-20)29-16-7-9-21(19(24)12-16)32-13-17-5-3-4-10-26-17/h3-12,14H,2,13H2,1H3,(H2,25,30,31)(H,27,28,29) | PDB MMDB
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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 227 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50132495
(CHEMBL3633940)Show SMILES NC(=O)Nc1ccc(cc1)C(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H16ClFN6O2/c23-17-10-15(5-7-18(17)24)28-20-16-9-14(6-8-19(16)26-11-27-20)29-21(31)12-1-3-13(4-2-12)30-22(25)32/h1-11H,(H,29,31)(H3,25,30,32)(H,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory constant against Adenosine A2A receptor using [3H]-SCH-58,261 as radio ligand |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50132490
(CHEMBL3633928)Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H17ClFN5O2/c23-18-10-16(5-7-20(18)31-11-13-2-1-3-14(24)8-13)28-21-17-9-15(29-22(25)30)4-6-19(17)26-12-27-21/h1-10,12H,11H2,(H3,25,29,30)(H,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 287 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50132497
(CHEMBL3633938)Show SMILES Fc1cccc(-[#6]-[#8]-c2ccc(-[#7]-c3ncnc4ccc(-[#7]\[#6]=[#6](\C#N)C#N)cc34)cc2Cl)c1 Show InChI InChI=1S/C25H16ClFN6O/c26-22-10-20(5-7-24(22)34-14-16-2-1-3-18(27)8-16)33-25-21-9-19(30-13-17(11-28)12-29)4-6-23(21)31-15-32-25/h1-10,13,15,30H,14H2,(H,31,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 445 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50132491
(CHEMBL3633775)Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccc(Cl)c(Cl)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C21H14Cl3N5O2/c22-15-4-3-13(9-16(15)23)31-19-6-2-12(8-17(19)24)28-20-14-7-11(29-21(25)30)1-5-18(14)26-10-27-20/h1-10H,(H3,25,29,30)(H,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 543 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50132506
(CHEMBL3633930)Show SMILES CCNC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c2c1 Show InChI InChI=1S/C24H19ClF3N5O2/c1-2-29-23(34)33-15-6-8-20-18(11-15)22(31-13-30-20)32-16-7-9-21(19(25)12-16)35-17-5-3-4-14(10-17)24(26,27)28/h3-13H,2H2,1H3,(H2,29,33,34)(H,30,31,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 625 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Factor Xa was determined |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50132491
(CHEMBL3633775)Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccc(Cl)c(Cl)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C21H14Cl3N5O2/c22-15-4-3-13(9-16(15)23)31-19-6-2-12(8-17(19)24)28-20-14-7-11(29-21(25)30)1-5-18(14)26-10-27-20/h1-10H,(H3,25,29,30)(H,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 706 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50132500
(CHEMBL3633936)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#7]-c1ccc2ncnc(-[#7]-c3ccc(-[#8]-[#6]-c4cccc(F)c4)c(Cl)c3)c2c1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C29H26ClFN4O5/c1-3-38-28(36)23(29(37)39-4-2)15-32-20-8-10-25-22(13-20)27(34-17-33-25)35-21-9-11-26(24(30)14-21)40-16-18-6-5-7-19(31)12-18/h5-15,17,32H,3-4,16H2,1-2H3,(H,33,34,35) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 812 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50132494
(CHEMBL3633941)Show SMILES CCNC(=O)Nc1ccc(cc1)C(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C24H20ClFN6O2/c1-2-27-24(34)32-15-5-3-14(4-6-15)23(33)31-16-8-10-21-18(11-16)22(29-13-28-21)30-17-7-9-20(26)19(25)12-17/h3-13H,2H2,1H3,(H,31,33)(H2,27,32,34)(H,28,29,30) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 855 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory constant against Adenosine A2A receptor using [3H]-SCH-58,261 as radio ligand |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50132502
(CHEMBL3633934)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#7]-c1ccc2ncnc(-[#7]-c3ccc(-[#8]-c4cccc(c4)C(F)(F)F)c(Cl)c3)c2c1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C29H24ClF3N4O5/c1-3-40-27(38)22(28(39)41-4-2)15-34-18-8-10-24-21(13-18)26(36-16-35-24)37-19-9-11-25(23(30)14-19)42-20-7-5-6-17(12-20)29(31,32)33/h5-16,34H,3-4H2,1-2H3,(H,35,36,37) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory constant against Adenosine A2A receptor using [3H]-SCH-58,261 as radio ligand |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50132499
(CHEMBL3632637)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#7]-c1ccc2ncnc(-[#7]-c3ccc(-[#8]-[#6]-c4ccccn4)c(Cl)c3)c2c1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C28H26ClN5O5/c1-3-37-27(35)22(28(36)38-4-2)15-31-18-8-10-24-21(13-18)26(33-17-32-24)34-19-9-11-25(23(29)14-19)39-16-20-7-5-6-12-30-20/h5-15,17,31H,3-4,16H2,1-2H3,(H,32,33,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50132489
(CHEMBL3633929)Show SMILES CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H18ClN5O2/c1-14(29)27-15-5-7-20-18(10-15)22(26-13-25-20)28-16-6-8-21(19(23)11-16)30-12-17-4-2-3-9-24-17/h2-11,13H,12H2,1H3,(H,27,29)(H,25,26,28) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory constant against Adenosine A2A receptor using [3H]-SCH-58,261 as radio ligand |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50132503
(CHEMBL3633933)Show SMILES CCNC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1 Show InChI InChI=1S/C23H21ClN6O2/c1-2-25-23(31)30-15-6-8-20-18(11-15)22(28-14-27-20)29-16-7-9-21(19(24)12-16)32-13-17-5-3-4-10-26-17/h3-12,14H,2,13H2,1H3,(H2,25,30,31)(H,27,28,29) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory constant against Adenosine A2A receptor using [3H]-SCH-58,261 as radio ligand |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50132493
(CHEMBL3633942)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#7]-[#6](=O)-[#7]-c1ccc(cc1)-[#6](=O)-[#7]-c1ccc2ncnc(-[#7]-c3ccc(F)c(Cl)c3)c2c1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C30H26ClFN6O6/c1-3-43-28(40)22(29(41)44-4-2)15-33-30(42)38-18-7-5-17(6-8-18)27(39)37-19-10-12-25-21(13-19)26(35-16-34-25)36-20-9-11-24(32)23(31)14-20/h5-16H,3-4H2,1-2H3,(H,37,39)(H2,33,38,42)(H,34,35,36) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50132497
(CHEMBL3633938)Show SMILES Fc1cccc(-[#6]-[#8]-c2ccc(-[#7]-c3ncnc4ccc(-[#7]\[#6]=[#6](\C#N)C#N)cc34)cc2Cl)c1 Show InChI InChI=1S/C25H16ClFN6O/c26-22-10-20(5-7-24(22)34-14-16-2-1-3-18(27)8-16)33-25-21-9-19(30-13-17(11-28)12-29)4-6-23(21)31-15-32-25/h1-10,13,15,30H,14H2,(H,31,32,33) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory constant against Adenosine A2A receptor using [3H]-SCH-58,261 as radio ligand |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50132496
(CHEMBL3633939)Show SMILES Clc1cc(-[#7]-c2ncnc3ccc(-[#7]\[#6]=[#6](\C#N)C#N)cc23)ccc1-[#8]-[#6]-c1ccccn1 Show InChI InChI=1S/C24H16ClN7O/c25-21-10-18(5-7-23(21)33-14-19-3-1-2-8-28-19)32-24-20-9-17(29-13-16(11-26)12-27)4-6-22(20)30-15-31-24/h1-10,13,15,29H,14H2,(H,30,31,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50132499
(CHEMBL3632637)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#7]-c1ccc2ncnc(-[#7]-c3ccc(-[#8]-[#6]-c4ccccn4)c(Cl)c3)c2c1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C28H26ClN5O5/c1-3-37-27(35)22(28(36)38-4-2)15-31-18-8-10-24-21(13-18)26(33-17-32-24)34-19-9-11-25(23(29)14-19)39-16-20-7-5-6-12-30-20/h5-15,17,31H,3-4,16H2,1-2H3,(H,32,33,34) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory constant against Adenosine A2A receptor using [3H]-SCH-58,261 as radio ligand |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50132500
(CHEMBL3633936)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#7]-c1ccc2ncnc(-[#7]-c3ccc(-[#8]-[#6]-c4cccc(F)c4)c(Cl)c3)c2c1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C29H26ClFN4O5/c1-3-38-28(36)23(29(37)39-4-2)15-32-20-8-10-25-22(13-20)27(34-17-33-25)35-21-9-11-26(24(30)14-21)40-16-18-6-5-7-19(31)12-18/h5-15,17,32H,3-4,16H2,1-2H3,(H,33,34,35) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory constant against Adenosine A2A receptor using [3H]-SCH-58,261 as radio ligand |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50132496
(CHEMBL3633939)Show SMILES Clc1cc(-[#7]-c2ncnc3ccc(-[#7]\[#6]=[#6](\C#N)C#N)cc23)ccc1-[#8]-[#6]-c1ccccn1 Show InChI InChI=1S/C24H16ClN7O/c25-21-10-18(5-7-23(21)33-14-19-3-1-2-8-28-19)32-24-20-9-17(29-13-16(11-26)12-27)4-6-22(20)30-15-31-24/h1-10,13,15,29H,14H2,(H,30,31,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory constant against Adenosine A2A receptor using [3H]-SCH-58,261 as radio ligand |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50132493
(CHEMBL3633942)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#7]-[#6](=O)-[#7]-c1ccc(cc1)-[#6](=O)-[#7]-c1ccc2ncnc(-[#7]-c3ccc(F)c(Cl)c3)c2c1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C30H26ClFN6O6/c1-3-43-28(40)22(29(41)44-4-2)15-33-30(42)38-18-7-5-17(6-8-18)27(39)37-19-10-12-25-21(13-19)26(35-16-34-25)36-20-9-11-24(32)23(31)14-20/h5-16H,3-4H2,1-2H3,(H,37,39)(H2,33,38,42)(H,34,35,36) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory constant against Adenosine A2A receptor using [3H]-SCH-58,261 as radio ligand |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50132498
(CHEMBL3633937)Show SMILES Clc1ccc(-[#8]-c2ccc(-[#7]-c3ncnc4ccc(-[#7]\[#6]=[#6](\C#N)C#N)cc34)cc2Cl)cc1Cl Show InChI InChI=1S/C24H13Cl3N6O/c25-19-4-3-17(9-20(19)26)34-23-6-2-16(8-21(23)27)33-24-18-7-15(30-12-14(10-28)11-29)1-5-22(18)31-13-32-24/h1-9,12-13,30H,(H,31,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50132501
(CHEMBL3633935)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#7]-c1ccc2ncnc(-[#7]-c3ccc(-[#8]-c4ccc(Cl)c(Cl)c4)c(Cl)c3)c2c1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C28H23Cl3N4O5/c1-3-38-27(36)20(28(37)39-4-2)14-32-16-5-9-24-19(11-16)26(34-15-33-24)35-17-6-10-25(23(31)12-17)40-18-7-8-21(29)22(30)13-18/h5-15,32H,3-4H2,1-2H3,(H,33,34,35) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50132505
(CHEMBL3633931)Show SMILES CCNC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccc(Cl)c(Cl)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C23H18Cl3N5O2/c1-2-27-23(32)31-13-3-7-20-16(9-13)22(29-12-28-20)30-14-4-8-21(19(26)10-14)33-15-5-6-17(24)18(25)11-15/h3-12H,2H2,1H3,(H2,27,31,32)(H,28,29,30) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against tryptase |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50132498
(CHEMBL3633937)Show SMILES Clc1ccc(-[#8]-c2ccc(-[#7]-c3ncnc4ccc(-[#7]\[#6]=[#6](\C#N)C#N)cc34)cc2Cl)cc1Cl Show InChI InChI=1S/C24H13Cl3N6O/c25-19-4-3-17(9-20(19)26)34-23-6-2-16(8-21(23)27)33-24-18-7-15(30-12-14(10-28)11-29)1-5-22(18)31-13-32-24/h1-9,12-13,30H,(H,31,32,33) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory constant against Adenosine A2A receptor using [3H]-SCH-58,261 as radio ligand |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50132501
(CHEMBL3633935)Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#7]-c1ccc2ncnc(-[#7]-c3ccc(-[#8]-c4ccc(Cl)c(Cl)c4)c(Cl)c3)c2c1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C28H23Cl3N4O5/c1-3-38-27(36)20(28(37)39-4-2)14-32-16-5-9-24-19(11-16)26(34-15-33-24)35-17-6-10-25(23(31)12-17)40-18-7-8-21(29)22(30)13-18/h5-15,32H,3-4H2,1-2H3,(H,33,34,35) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory constant against Adenosine A2A receptor using [3H]-SCH-58,261 as radio ligand |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50132505
(CHEMBL3633931)Show SMILES CCNC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccc(Cl)c(Cl)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C23H18Cl3N5O2/c1-2-27-23(32)31-13-3-7-20-16(9-13)22(29-12-28-20)30-14-4-8-21(19(26)10-14)33-15-5-6-17(24)18(25)11-15/h3-12H,2H2,1H3,(H2,27,31,32)(H,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5) |
Bioorg Med Chem Lett 25: 5147-54 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.003 BindingDB Entry DOI: 10.7270/Q27W6F0D |
More data for this Ligand-Target Pair | |